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

Systemtic Name: ethanedioic acid; 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-(3-methylcyclohexyl)-1-piperazinyl]-2-(4-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(3-methylcyclohexyl)piperazino]-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C22H32N2O6 MolecularWeight: 420.49928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O2.C2H2O4/c1-16-6-8-19(9-7-16)24-15-20(23)22-12-10-21(11-13-22)18-5-3-4-17(2)14-18;3-1(4)2(5)6/h6-9,17-18H,3-5,10-15H2,1-2H3;(H,3,4)(H,5,6)