(3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-fluorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide CAS Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-[(4-fluorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-fluorobenzoyl)nipecotamide Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)F)Cl)OC

InChI

InChI=1S/C21H22ClFN2O4/c1-28-18-11-19(29-2)17(10-16(18)22)24-20(26)14-4-3-9-25(12-14)21(27)13-5-7-15(23)8-6-13/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,24,26)/t14-/m0/s1