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

Systemtic Name: 4-oxidanylidene-4-[[2-[4-(4-propan-2-ylphenyl)piperazin-1-yl]carbonylphenyl]amino]but-2-enoic acid Openeye Name: 4-[2-[4-(4-isopropylphenyl)piperazine-1-carbonyl]anilino]-4-oxo-but-2-enoic acid CAS Name: 4-oxo-4-[2-[oxo-[4-(4-propan-2-ylphenyl)-1-piperazinyl]methyl]anilino]-2-butenoic acid IUPAC Name: 4-oxo-4-[2-[4-(4-propan-2-ylphenyl)piperazine-1-carbonyl]anilino]but-2-enoic acid Traditional Name: 4-keto-4-[2-(4-p-cumenylpiperazine-1-carbonyl)anilino]but-2-enoic acid Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C=CC(=O)O

InChI

InChI=1S/C24H27N3O4/c1-17(2)18-7-9-19(10-8-18)26-13-15-27(16-14-26)24(31)20-5-3-4-6-21(20)25-22(28)11-12-23(29)30/h3-12,17H,13-16H2,1-2H3,(H,25,28)(H,29,30)