ethanedioic acid; 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2,2-diphenyl-ethanone; oxalic acid CAS Name: 1-[4-(3-methylcyclohexyl)-1-piperazinyl]-2,2-diphenylethanone; oxalic acid IUPAC Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2,2-diphenylethanone; oxalic acid Traditional Name: 1-[4-(3-methylcyclohexyl)piperazino]-2,2-diphenyl-ethanone; oxalic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O.C2H2O4/c1-20-9-8-14-23(19-20)26-15-17-27(18-16-26)25(28)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22;3-1(4)2(5)6/h2-7,10-13,20,23-24H,8-9,14-19H2,1H3;(H,3,4)(H,5,6)