ethanedioic acid; (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone Openeye Name: (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-methoxyphenyl)-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2.C2H2O4/c1-28-23-13-9-21(10-14-23)24(27)26-17-15-25(16-18-26)22-11-7-20(8-12-22)19-5-3-2-4-6-19;3-1(4)2(5)6/h2-6,9-10,13-14,20,22H,7-8,11-12,15-18H2,1H3;(H,3,4)(H,5,6)