ethyl (3S)-1-(tert-butylcarbamoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(tert-butylcarbamoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(tert-butylcarbamoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(tert-butylamino)-oxomethyl]-3-[(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(tert-butylcarbamoyl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(tert-butylcarbamoyl)-3-(3-chlorobenzyl)nipecotic acid ethyl ester Formula: C20H29ClN2O3 MolecularWeight: 380.90886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC(C)(C)C)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)NC(C)(C)C)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H29ClN2O3/c1-5-26-17(24)20(13-15-8-6-9-16(21)12-15)10-7-11-23(14-20)18(25)22-19(2,3)4/h6,8-9,12H,5,7,10-11,13-14H2,1-4H3,(H,22,25)/t20-/m0/s1