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3-(2-{Cyano-[5-methoxy-3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmethyl-1H-pyrr
SpectraBase Compound ID Leh0CQYtNyY
InChI InChI=1S/C25H29N3O9/c1-33-19(29)8-6-15-14(10-21(31)35-3)13-27-23(15)18(12-26)24-16(7-9-20(30)34-2)17(11-22(32)36-4)25(28-24)37-5/h13,27H,6-11H2,1-5H3/b24-18-
InChIKey DHBVRLZWGLUWEY-MOHJPFBDSA-N
Mol Weight 515.52 g/mol
Molecular Formula C25H29N3O9
Exact Mass 515.19038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 22DyLP1zbrR
Name 3-(2-{Cyano-[5-methoxy-3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmethyl-1H-pyrr
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29N3O9
InChI InChI=1S/C25H29N3O9/c1-33-19(29)8-6-15-14(10-21(31)35-3)13-27-23(15)18(12-26)24-16(7-9-20(30)34-2)17(11-22(32)36-4)25(28-24)37-5/h13,27H,6-11H2,1-5H3/b24-18-
InChIKey DHBVRLZWGLUWEY-MOHJPFBDSA-N
Molecular Weight 515.519 g/mol
SMILES [nH]1cc(c(c1\C(=C\1N=C(C(=C1CCC(=O)OC)CC(=O)OC)OC)C#N)CCC(=O)OC)CC(=O)OC
SPLASH splash10-014j-8893200000-49d9f886d2a5f763da23
Synonyms 3-(2-{cyano-[5-methoxy-3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-pyrro 3-(2-{Cyano-[5-methoxy-3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmethyl-1H-pyrrol-3-yl)propanoic acid, methyl ester Methyl 3-[2-{(E)-cyano[5-methoxy-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-2H-pyrrol-2-ylidene]methyl}-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Methyl 3-[2-{cyano[5-methoxy-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-2H-pyrrol-2-ylidene]methyl}-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate
Wiley ID 1487161