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

Systemtic Name: 4-oxidanylidene-2-phenyl-4-[[4-[4-(4-propan-2-ylphenyl)piperazin-1-yl]phenyl]amino]but-2-enoic acid Openeye Name: 4-[4-[4-(4-isopropylphenyl)piperazin-1-yl]anilino]-4-oxo-2-phenyl-but-2-enoic acid CAS Name: 4-oxo-2-phenyl-4-[4-[4-(4-propan-2-ylphenyl)-1-piperazinyl]anilino]-2-butenoic acid IUPAC Name: 4-oxo-2-phenyl-4-[4-[4-(4-propan-2-ylphenyl)piperazin-1-yl]anilino]but-2-enoic acid Traditional Name: 4-keto-4-[4-(4-p-cumenylpiperazino)anilino]-2-phenyl-but-2-enoic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3/c1-21(2)22-8-12-25(13-9-22)31-16-18-32(19-17-31)26-14-10-24(11-15-26)30-28(33)20-27(29(34)35)23-6-4-3-5-7-23/h3-15,20-21H,16-19H2,1-2H3,(H,30,33)(H,34,35)