(2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2,3-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazino]methanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-15-6-4-7-16(14-15)21-10-12-22(13-11-21)20(23)17-8-5-9-18(24-2)19(17)25-3;3-1(4)2(5)6/h5,8-9,15-16H,4,6-7,10-14H2,1-3H3;(H,3,4)(H,5,6)