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(phenylmethyl) 4-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]butanoate
SpectraBase Compound ID EJMLzvwIsWY
InChI InChI=1S/C27H25FN2O4/c28-23-15-13-20(14-16-23)18-24(30-26(32)22-10-5-2-6-11-22)27(33)29-17-7-12-25(31)34-19-21-8-3-1-4-9-21/h1-6,8-11,13-16,18H,7,12,17,19H2,(H,29,33)(H,30,32)/b24-18-
InChIKey JINOVZVARFKKOM-MOHJPFBDSA-N
Mol Weight 460.51 g/mol
Molecular Formula C27H25FN2O4
Exact Mass 460.179835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KX6bF8Cz77S
Name (phenylmethyl) 4-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]butanoate
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Formula C27H25FN2O4
InChI InChI=1S/C27H25FN2O4/c28-23-15-13-20(14-16-23)18-24(30-26(32)22-10-5-2-6-11-22)27(33)29-17-7-12-25(31)34-19-21-8-3-1-4-9-21/h1-6,8-11,13-16,18H,7,12,17,19H2,(H,29,33)(H,30,32)/b24-18-
InChIKey JINOVZVARFKKOM-MOHJPFBDSA-N
Molecular Weight 460.505 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NCCCC(OCc1ccccc1)=O)=O)=C/c1ccc(cc1)F
SPLASH splash10-0a6r-9500000000-7676a20a465f07bb69e8
Synonyms 4-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]butanoic acid (phenylmethyl) ester 4-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]butyric acid benzyl ester benzyl 4-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]butanoate
Wiley ID 1446308