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

Systemtic Name: (Z)-4-[[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-yl-phenyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-oxo-4-[4-(1-piperidyl)-3-(p-tolylcarbamoyl)anilino]but-2-enoic acid CAS Name: (Z)-4-[3-[(4-methylanilino)-oxomethyl]-4-(1-piperidinyl)anilino]-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylanilino]-4-oxobut-2-enoic acid Traditional Name: (Z)-4-keto-4-[4-piperidino-3-(p-tolylcarbamoyl)anilino]but-2-enoic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C=CC(=O)O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)/C=C\C(=O)O)N3CCCCC3

InChI

InChI=1S/C23H25N3O4/c1-16-5-7-17(8-6-16)25-23(30)19-15-18(24-21(27)11-12-22(28)29)9-10-20(19)26-13-3-2-4-14-26/h5-12,15H,2-4,13-14H2,1H3,(H,24,27)(H,25,30)(H,28,29)/b12-11-