3-[[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-nitro-4-(4-veratroylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29N5O8 MolecularWeight: 563.55856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CN=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H29N5O8/c1-40-24-8-6-19(15-25(24)41-2)28(37)32-12-10-31(11-13-32)22-7-5-18(14-23(22)33(38)39)27(36)30-21(16-26(34)35)20-4-3-9-29-17-20/h3-9,14-15,17,21H,10-13,16H2,1-2H3,(H,30,36)(H,34,35)