ethanedioic acid; 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(4-isopropylphenyl)methyl]-N-(3-pyridylmethyl)piperidine-4-carboxamide; oxalic acid CAS Name: oxalic acid; 1-[(4-propan-2-ylphenyl)methyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: oxalic acid; 1-[(4-propan-2-ylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(4-isopropylbenzyl)-N-(3-pyridylmethyl)isonipecotamide; oxalic acid Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2CCC(CC2)C(=O)NCC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2CCC(CC2)C(=O)NCC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H29N3O.C2H2O4/c1-17(2)20-7-5-18(6-8-20)16-25-12-9-21(10-13-25)22(26)24-15-19-4-3-11-23-14-19;3-1(4)2(5)6/h3-8,11,14,17,21H,9-10,12-13,15-16H2,1-2H3,(H,24,26);(H,3,4)(H,5,6)