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

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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