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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3,4-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3,4-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3,4-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3,4-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O3.C2H2O4/c1-29-23-13-10-21(18-24(23)30-2)25(28)27-16-14-26(15-17-27)22-11-8-20(9-12-22)19-6-4-3-5-7-19;3-1(4)2(5)6/h3-7,10,13,18,20,22H,8-9,11-12,14-17H2,1-2H3;(H,3,4)(H,5,6)