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

Systemtic Name: 3-[[3-azanyl-4-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-amino-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-amino-4-(4-veratroylpiperazino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H31N5O6 MolecularWeight: 533.57564

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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)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)OC

InChI

InChI=1S/C28H31N5O6/c1-38-24-8-6-19(15-25(24)39-2)28(37)33-12-10-32(11-13-33)23-7-5-18(14-21(23)29)27(36)31-22(16-26(34)35)20-4-3-9-30-17-20/h3-9,14-15,17,22H,10-13,16,29H2,1-2H3,(H,31,36)(H,34,35)