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

Systemtic Name: 3-[[3-benzamido-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-benzamido-4-(4-veratroylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C35H35N5O7 MolecularWeight: 637.6817

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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)NC(=O)C5=CC=CC=C5)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)NC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C35H35N5O7/c1-46-30-13-11-25(20-31(30)47-2)35(45)40-17-15-39(16-18-40)29-12-10-24(19-28(29)38-33(43)23-7-4-3-5-8-23)34(44)37-27(21-32(41)42)26-9-6-14-36-22-26/h3-14,19-20,22,27H,15-18,21H2,1-2H3,(H,37,44)(H,38,43)(H,41,42)