butyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(2-chloro-6-fluoro-benzyl)isonipecotoyl]amino]benzoic acid butyl ester Formula: C24H28ClFN2O3 MolecularWeight: 446.942123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C24H28ClFN2O3/c1-2-3-15-31-24(30)18-7-9-19(10-8-18)27-23(29)17-11-13-28(14-12-17)16-20-21(25)5-4-6-22(20)26/h4-10,17H,2-3,11-16H2,1H3,(H,27,29)