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

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-(4-phenylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-[4-(4-phenylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O2.C2H2O4/c1-20-6-5-9-24(18-20)29-19-25(28)27-16-14-26(15-17-27)23-12-10-22(11-13-23)21-7-3-2-4-8-21;3-1(4)2(5)6/h2-9,18,22-23H,10-17,19H2,1H3;(H,3,4)(H,5,6)