4-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-2-phenyl-but-2-enoic acid

Systemtic Name: 4-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]amino]-4-oxidanylidene-2-phenyl-but-2-enoic acid Openeye Name: 4-[4-[4-(m-tolyl)piperazin-1-yl]anilino]-4-oxo-2-phenyl-but-2-enoic acid CAS Name: 4-[4-[4-(3-methylphenyl)-1-piperazinyl]anilino]-4-oxo-2-phenyl-2-butenoic acid IUPAC Name: 4-[4-[4-(3-methylphenyl)piperazin-1-yl]anilino]-4-oxo-2-phenylbut-2-enoic acid Traditional Name: 4-keto-4-[4-[4-(m-tolyl)piperazino]anilino]-2-phenyl-but-2-enoic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C=C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C=C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27N3O3/c1-20-6-5-9-24(18-20)30-16-14-29(15-17-30)23-12-10-22(11-13-23)28-26(31)19-25(27(32)33)21-7-3-2-4-8-21/h2-13,18-19H,14-17H2,1H3,(H,28,31)(H,32,33)