tert-butyl (3S)-3-[(2-fluoranyl-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(2-fluoranyl-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(2-fluoro-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[(2-fluoro-4-methylanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(2-fluoro-4-methylphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(2-fluoro-4-methyl-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25FN2O3 MolecularWeight: 336.401103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCCN(C2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H]2CCCN(C2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C18H25FN2O3/c1-12-7-8-15(14(19)10-12)20-16(22)13-6-5-9-21(11-13)17(23)24-18(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,20,22)/t13-/m0/s1