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2-Propenoic acid, 3-[4-[3-[[7-[[3-[4-[3-ethoxy-3-oxo-1-propen-1-yl]phenyl]-1-oxo-2-propen-1-yl]amino]heptyl]amino]-3-oxo-1-propen-1-yl]phenyl]-, ethyl ester
SpectraBase Compound ID FUF7sKyLB86
InChI InChI=1S/C35H42N2O6/c1-3-42-34(40)24-20-30-14-10-28(11-15-30)18-22-32(38)36-26-8-6-5-7-9-27-37-33(39)23-19-29-12-16-31(17-13-29)21-25-35(41)43-4-2/h10-25H,3-9,26-27H2,1-2H3,(H,36,38)(H,37,39)/b22-18-,23-19+,24-20+,25-21+
InChIKey KJFROPQETRJMMP-FKPRTIHZSA-N
Mol Weight 586.7 g/mol
Molecular Formula C35H42N2O6
Exact Mass 586.304287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ix5HFlkA32A
Name 2-Propenoic acid, 3-[4-[3-[[7-[[3-[4-[3-ethoxy-3-oxo-1-propen-1-yl]phenyl]-1-oxo-2-propen-1-yl]amino]heptyl]amino]-3-oxo-1-propen-1-yl]phenyl]-, ethyl ester
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Formula C35H42N2O6
InChI InChI=1S/C35H42N2O6/c1-3-42-34(40)24-20-30-14-10-28(11-15-30)18-22-32(38)36-26-8-6-5-7-9-27-37-33(39)23-19-29-12-16-31(17-13-29)21-25-35(41)43-4-2/h10-25H,3-9,26-27H2,1-2H3,(H,36,38)(H,37,39)/b22-18-,23-19+,24-20+,25-21+
InChIKey KJFROPQETRJMMP-FKPRTIHZSA-N
Molecular Weight 586.729 g/mol
SMILES N(C(\C=C\c1ccc(\C=C\C(OCC)=O)cc1)=O)CCCCCCCNC(=O)\C=C/c1ccc(\C=C\C(=O)OCC)cc1
SPLASH splash10-0059-2972010000-024ff9367e26a4de20a1
Source of Spectrum JX-2015-4-1267
Synonyms (E)-ethyl 3-(4-((E)-3-((7-((Z)-3-(4-((E)-3-ethoxy-3-oxoprop-1-en-1-yl)phenyl)acrylamido)heptyl)amino)-3-oxoprop-1-en-1-yl)phenyl)acrylate (E)-3-[4-[(Z)-3-[7-[[(E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-1-oxoprop-2-enyl]amino]heptylamino]-3-oxoprop-1-enyl]phenyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[4-[(Z)-3-[7-[[(E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]heptylamino]-3-oxoprop-1-enyl]phenyl]prop-2-enoate Ethyl (E)-3-[4-[(Z)-3-[7-[[(E)-3-[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]prop-2-enoyl]amino]heptylamino]-3-oxo-prop-1-enyl]phenyl]prop-2-enoate Ethyl (E)-3-[4-[(Z)-3-[7-[[(E)-3-[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoyl]amino]heptylamino]-3-oxidanylidene-prop-1-enyl]phenyl]prop-2-enoate
Wiley ID 1726658