ethanedioic acid; N-(phenylmethyl)-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide

Systemtic Name: ethanedioic acid; N-(phenylmethyl)-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide Openeye Name: N-benzyl-N-[2-(4-phenyl-1-piperidyl)propyl]propanamide; oxalic acid CAS Name: oxalic acid; N-(phenylmethyl)-N-[2-(4-phenyl-1-piperidinyl)propyl]propanamide IUPAC Name: N-benzyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide; oxalic acid Traditional Name: N-benzyl-N-[2-(4-phenylpiperidino)propyl]propionamide; oxalic acid Formula: C50H66N4O6 MolecularWeight: 819.08224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=CC=C1)CC(C)N2CCC(CC2)C3=CC=CC=C3.CCC(=O)N(CC1=CC=CC=C1)CC(C)N2CCC(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(CC1=CC=CC=C1)CC(C)N2CCC(CC2)C3=CC=CC=C3.CCC(=O)N(CC1=CC=CC=C1)CC(C)N2CCC(CC2)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/2C24H32N2O.C2H2O4/c2*1-3-24(27)26(19-21-10-6-4-7-11-21)18-20(2)25-16-14-23(15-17-25)22-12-8-5-9-13-22;3-1(4)2(5)6/h2*4-13,20,23H,3,14-19H2,1-2H3;(H,3,4)(H,5,6)