2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexene-1-carboxylate

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylcyclohexene-1-carboxylate Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexenecarboxylate IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexene-1-carboxylate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclohexene-1-carboxylate Formula: C20H25N2O3- MolecularWeight: 341.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(CCCC3)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(CCCC3)C(=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/h5-6,9H,3-4,7-8,10-13H2,1-2H3,(H,24,25)/p-1