(1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C20H27N2O3- MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCCC3C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3/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/h5-6,9,16-17H,3-4,7-8,10-13H2,1-2H3,(H,24,25)/p-1/t16-,17+/m1/s1