ethanedioic acid; [4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]-phenyl-methanone

Systemtic Name: ethanedioic acid; [4-[phenethyl-(phenylmethyl)amino]piperidin-1-yl]-phenyl-methanone Openeye Name: [4-[benzyl(phenethyl)amino]-1-piperidyl]-phenyl-methanone; oxalic acid CAS Name: oxalic acid; [4-[phenethyl-(phenylmethyl)amino]-1-piperidinyl]-phenylmethanone IUPAC Name: [4-[benzyl(phenethyl)amino]piperidin-1-yl]-phenylmethanone; oxalic acid Traditional Name: [4-[benzyl(phenethyl)amino]piperidino]-phenyl-methanone; oxalic acid Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N(CCC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

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