ethanedioic acid; 1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-(4-methylcyclohexyl)-1-piperazinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-(4-methylcyclohexyl)piperazino]-2-phenyl-ethanone; oxalic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C2H2O4/c1-16-7-9-18(10-8-16)20-11-13-21(14-12-20)19(22)15-17-5-3-2-4-6-17;3-1(4)2(5)6/h2-6,16,18H,7-15H2,1H3;(H,3,4)(H,5,6)