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

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(2-methylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-16-5-3-4-6-19(16)21-11-13-22(14-12-21)20(23)15-25-18-9-7-17(24-2)8-10-18;3-1(4)2(5)6/h7-10,16,19H,3-6,11-15H2,1-2H3;(H,3,4)(H,5,6)