6-[[2-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-[4-(2-methylphenyl)piperazin-1-yl]carbonylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-[4-(o-tolyl)piperazine-1-carbonyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C26H29N3O4/c1-18-8-2-7-13-23(18)28-14-16-29(17-15-28)25(31)21-11-5-6-12-22(21)27-24(30)19-9-3-4-10-20(19)26(32)33/h2-8,11-13,19-20H,9-10,14-17H2,1H3,(H,27,30)(H,32,33)