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

Systemtic Name: ethanedioic acid; 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-(3-methylcyclohexyl)-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: 1-[4-(3-methylcyclohexyl)piperazino]-2-phenoxy-ethanone; oxalic acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O2.C2H2O4/c1-16-6-5-7-17(14-16)20-10-12-21(13-11-20)19(22)15-23-18-8-3-2-4-9-18;3-1(4)2(5)6/h2-4,8-9,16-17H,5-7,10-15H2,1H3;(H,3,4)(H,5,6)