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

Systemtic Name: ethanedioic acid; [4-(3-methylcyclohexyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-phenyl-methanone; oxalic acid CAS Name: [4-(3-methylcyclohexyl)-1-piperazinyl]-phenylmethanone; oxalic acid IUPAC Name: [4-(3-methylcyclohexyl)piperazin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-(3-methylcyclohexyl)piperazino]-phenyl-methanone; oxalic acid Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O.C2H2O4/c1-15-6-5-9-17(14-15)19-10-12-20(13-11-19)18(21)16-7-3-2-4-8-16;3-1(4)2(5)6/h2-4,7-8,15,17H,5-6,9-14H2,1H3;(H,3,4)(H,5,6)