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

Systemtic Name: 6-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-[4-(m-tolyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[4-(3-methylphenyl)-1-piperazinyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-[4-(m-tolyl)piperazino]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C25H29N3O3/c1-18-5-4-6-21(17-18)28-15-13-27(14-16-28)20-11-9-19(10-12-20)26-24(29)22-7-2-3-8-23(22)25(30)31/h2-6,9-12,17,22-23H,7-8,13-16H2,1H3,(H,26,29)(H,30,31)