tert-butyl (3R)-3-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-[(3-chloranyl-4-cyano-phenyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl (3R)-3-[(3-chloro-4-cyano-phenyl)carbamoyl]piperidine-1-carboxylate CAS Name: (3R)-3-[(3-chloro-4-cyanoanilino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-[(3-chloro-4-cyanophenyl)carbamoyl]piperidine-1-carboxylate Traditional Name: (3R)-3-[(3-chloro-4-cyano-phenyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O3/c1-18(2,3)25-17(24)22-8-4-5-13(11-22)16(23)21-14-7-6-12(10-20)15(19)9-14/h6-7,9,13H,4-5,8,11H2,1-3H3,(H,21,23)/t13-/m1/s1