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

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(4-phenylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3CCC(CC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H32N2O3.C2H2O4/c1-29-23-11-13-24(14-12-23)30-19-25(28)27-17-15-26(16-18-27)22-9-7-21(8-10-22)20-5-3-2-4-6-20;3-1(4)2(5)6/h2-6,11-14,21-22H,7-10,15-19H2,1H3;(H,3,4)(H,5,6)