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

Systemtic Name: ethanedioic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: oxalic acid; [4-(4-phenylcyclohexyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: oxalic acid; [4-(4-phenylcyclohexyl)piperazino]-(3,4,5-trimethoxyphenyl)methanone Formula: C28H36N2O8 MolecularWeight: 528.59404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4.C2H2O4/c1-30-23-17-21(18-24(31-2)25(23)32-3)26(29)28-15-13-27(14-16-28)22-11-9-20(10-12-22)19-7-5-4-6-8-19;3-1(4)2(5)6/h4-8,17-18,20,22H,9-16H2,1-3H3;(H,3,4)(H,5,6)