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

Systemtic Name: ethanedioic acid; 2-naphthalen-2-yloxy-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-naphthyloxy)-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(2-naphthalenyloxy)-1-[4-(4-phenylcyclohexyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-naphthalen-2-yloxy-1-[4-(4-phenylcyclohexyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(2-naphthoxy)-1-[4-(4-phenylcyclohexyl)piperazino]ethanone; oxalic acid Formula: C30H34N2O6 MolecularWeight: 518.60076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H32N2O2.C2H2O4/c31-28(21-32-27-15-12-23-8-4-5-9-25(23)20-27)30-18-16-29(17-19-30)26-13-10-24(11-14-26)22-6-2-1-3-7-22;3-1(4)2(5)6/h1-9,12,15,20,24,26H,10-11,13-14,16-19,21H2;(H,3,4)(H,5,6)