(3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,5-dimethoxyphenyl)-[4-(3-methylcyclohexyl)piperazino]methanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-15-5-4-6-17(11-15)21-7-9-22(10-8-21)20(23)16-12-18(24-2)14-19(13-16)25-3;3-1(4)2(5)6/h12-15,17H,4-11H2,1-3H3;(H,3,4)(H,5,6)