tert-butyl (4S)-4-[(4-cyanophenyl)methylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

Systemtic Name: tert-butyl (4S)-4-[(4-cyanophenyl)methylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate Openeye Name: tert-butyl (4S)-4-[(4-cyanophenyl)methylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate CAS Name: (4S)-4-[[(4-cyanophenyl)methylamino]-oxomethyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-4-[(4-cyanophenyl)methylcarbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate Traditional Name: (4S)-4-[(4-cyanobenzyl)carbamoyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC2C1C(=O)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC2[C@H]1C(=O)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H23N3O3/c1-19(2,3)25-18(24)22-11-14-8-15(14)16(22)17(23)21-10-13-6-4-12(9-20)5-7-13/h4-7,14-16H,8,10-11H2,1-3H3,(H,21,23)/t14?,15?,16-/m0/s1