tert-butyl (3S)-3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[(3-chloranyl-4-methoxy-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[(3-chloro-4-methoxy-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: (3S)-3-[(3-chloro-4-methoxyanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: (3S)-3-[(3-chloro-4-methoxy-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H25ClN2O4 MolecularWeight: 368.8551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C18H25ClN2O4/c1-18(2,3)25-17(23)21-9-5-6-12(11-21)16(22)20-13-7-8-15(24-4)14(19)10-13/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,20,22)/t12-/m0/s1