ethanedioic acid; 1-[4-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-phenyl-ethanone

Systemtic Name: ethanedioic acid; 1-[4-[methyl-(phenylmethyl)amino]piperidin-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[benzyl(methyl)amino]-1-piperidyl]-2-phenyl-ethanone; oxalic acid CAS Name: 1-[4-[methyl-(phenylmethyl)amino]-1-piperidinyl]-2-phenylethanone; oxalic acid IUPAC Name: 1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-phenylethanone; oxalic acid Traditional Name: 1-[4-[benzyl(methyl)amino]piperidino]-2-phenyl-ethanone; oxalic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCN(CC2)C(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O.C2H2O4/c1-22(17-19-10-6-3-7-11-19)20-12-14-23(15-13-20)21(24)16-18-8-4-2-5-9-18;3-1(4)2(5)6/h2-11,20H,12-17H2,1H3;(H,3,4)(H,5,6)