(1S,6R)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)C

InChI

InChI=1S/C20H26N2O3/c1-14-6-5-9-18(15(14)2)21-10-12-22(13-11-21)19(23)16-7-3-4-8-17(16)20(24)25/h3-6,9,16-17H,7-8,10-13H2,1-2H3,(H,24,25)/t16-,17+/m1/s1