3-benzamido-4-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-benzamido-4-[4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-benzamido-4-[4-[2-(3-methylanilino)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-benzamido-4-[4-[2-(3-methylanilino)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-benzamido-4-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-benzamido-4-[4-[2-keto-2-(m-toluidino)ethyl]piperazino]benzoic acid Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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