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

Systemtic Name: ethanedioic acid; 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-(3-methylcyclohexyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 1-[4-(3-methylcyclohexyl)piperazino]-2-(2-naphthoxy)ethanone; oxalic acid Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O2.C2H2O4/c1-18-5-4-8-21(15-18)24-11-13-25(14-12-24)23(26)17-27-22-10-9-19-6-2-3-7-20(19)16-22;3-1(4)2(5)6/h2-3,6-7,9-10,16,18,21H,4-5,8,11-15,17H2,1H3;(H,3,4)(H,5,6)