ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-naphthalen-1-yl-methanone

Systemtic Name: ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-(1-naphthyl)methanone; oxalic acid CAS Name: [4-(3-methylcyclohexyl)-1-piperazinyl]-(1-naphthalenyl)methanone; oxalic acid IUPAC Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-naphthalen-1-ylmethanone; oxalic acid Traditional Name: [4-(3-methylcyclohexyl)piperazino]-(1-naphthyl)methanone; oxalic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCC(C1)N2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O.C2H2O4/c1-17-6-4-9-19(16-17)23-12-14-24(15-13-23)22(25)21-11-5-8-18-7-2-3-10-20(18)21;3-1(4)2(5)6/h2-3,5,7-8,10-11,17,19H,4,6,9,12-16H2,1H3;(H,3,4)(H,5,6)