2-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-[4-(o-tolyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[4-[4-(2-methylphenyl)-1-piperazinyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-[4-(2-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[4-[4-(o-tolyl)piperazino]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CCCCC4C(=O)O

InChI

InChI=1S/C25H31N3O3/c1-18-6-2-5-9-23(18)28-16-14-27(15-17-28)20-12-10-19(11-13-20)26-24(29)21-7-3-4-8-22(21)25(30)31/h2,5-6,9-13,21-22H,3-4,7-8,14-17H2,1H3,(H,26,29)(H,30,31)