C=CCCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1C(=O)NC1(C(=O)OCC)CC1C=C

Name: Compound 25

IUPAC: [5-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-1-[hept-6-enyl-[(4-methoxyphenyl)methyl]carbamoyl]pyrrolidin-3-yl] 4-nitrobenzoate

SMILES: C=CCCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)CC1C(=O)NC1(C(=O)OCC)CC1C=C

Canonical SMILES: CCOC(=O)C1(CC1C=C)NC(=O)C2CC(CN2C(=O)N(CCCCCC=C)CC3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Molecular formula: C36H44N4O9

Molecular weight: 676.80

InChIKey: QWLRWIPJKBWQIN-UHFFFAOYSA-N

InChI:

InChI=1S/C36H44N4O9/c1-5-8-9-10-11-20-38(23-25-12-18-29(47-4)19-13-25)35(44)39-24-30(49-33(42)26-14-16-28(17-15-26)40(45)46)21-31(39)32(41)37-36(22-27(36)6-2)34(43)48-7-3/h5-6,12-19,27,30-31H,1-2,7-11,20-24H2,3-4H3,(H,37,41)

PubChem CID: 66870506 →

Synonyms

SCHEMBL994845QWLRWIPJKBWQIN-UHFFFAOYSA-N4-Nitro-benzoic acid 5-(1-ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-1-[hept-6-enyl-(4-methoxy-benzyl)-carbamoyl]-pyrrolidin-3-yl ester

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