5-benzamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 5-benzamido-2-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-[2-keto-2-(p-toluidino)ethyl]piperazino]benzoic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N4O4/c1-19-7-9-21(10-8-19)28-25(32)18-30-13-15-31(16-14-30)24-12-11-22(17-23(24)27(34)35)29-26(33)20-5-3-2-4-6-20/h2-12,17H,13-16,18H2,1H3,(H,28,32)(H,29,33)(H,34,35)