N-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-benzyl-N-butyl-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-1-[(2-chloro-6-fluorophenyl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-butyl-1-(2-chloro-6-fluoro-benzyl)isonipecotamide; oxalic acid Formula: C26H32ClFN2O5 MolecularWeight: 506.994083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30ClFN2O.C2H2O4/c1-2-3-14-28(17-19-8-5-4-6-9-19)24(29)20-12-15-27(16-13-20)18-21-22(25)10-7-11-23(21)26;3-1(4)2(5)6/h4-11,20H,2-3,12-18H2,1H3;(H,3,4)(H,5,6)