ethanedioic acid; naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone Openeye Name: 1-naphthyl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid CAS Name: 1-naphthalenyl-[4-(4-phenylcyclohexyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: 1-naphthyl-[4-(4-phenylcyclohexyl)piperazino]methanone; oxalic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30N2O.C2H2O4/c30-27(26-12-6-10-23-9-4-5-11-25(23)26)29-19-17-28(18-20-29)24-15-13-22(14-16-24)21-7-2-1-3-8-21;3-1(4)2(5)6/h1-12,22,24H,13-20H2;(H,3,4)(H,5,6)