tert-butyl (2R)-3-oxidanylidene-4-[(1R)-2-oxidanyl-1-phenyl-ethyl]-2-prop-2-enyl-2,5-dihydro-1,4-benzodiazepine-1-carboxylate

Systemtic Name: tert-butyl (2R)-3-oxidanylidene-4-[(1R)-2-oxidanyl-1-phenyl-ethyl]-2-prop-2-enyl-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Openeye Name: tert-butyl (2R)-2-allyl-4-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepine-1-carboxylate CAS Name: (2R)-4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2-prop-2-enyl-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-4-[(1R)-2-hydroxy-1-phenylethyl]-3-oxo-2-prop-2-enyl-2,5-dihydro-1,4-benzodiazepine-1-carboxylate Traditional Name: (2R)-2-allyl-4-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-keto-2,5-dihydro-1,4-benzodiazepine-1-carboxylic acid tert-butyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)N(CC2=CC=CC=C21)C(CO)C3=CC=CC=C3)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C(=O)N(CC2=CC=CC=C21)[C@@H](CO)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C25H30N2O4/c1-5-11-21-23(29)26(22(17-28)18-12-7-6-8-13-18)16-19-14-9-10-15-20(19)27(21)24(30)31-25(2,3)4/h5-10,12-15,21-22,28H,1,11,16-17H2,2-4H3/t21-,22+/m1/s1