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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1N2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H30N2O2.C2H2O4/c1-18-6-2-5-9-22(18)24-12-14-25(15-13-24)23(26)17-27-21-11-10-19-7-3-4-8-20(19)16-21;3-1(4)2(5)6/h3-4,7-8,10-11,16,18,22H,2,5-6,9,12-15,17H2,1H3;(H,3,4)(H,5,6)