(phenylmethyl) (2S)-2-(2-ethyl-3-oxidanylidene-5H-1,4-benzodiazepin-4-yl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-(2-ethyl-3-oxidanylidene-5H-1,4-benzodiazepin-4-yl)propanoate Openeye Name: benzyl (2S)-2-(2-ethyl-3-oxo-5H-1,4-benzodiazepin-4-yl)propanoate CAS Name: (2S)-2-(2-ethyl-3-oxo-5H-1,4-benzodiazepin-4-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(2-ethyl-3-oxo-5H-1,4-benzodiazepin-4-yl)propanoate Traditional Name: (2S)-2-(2-ethyl-3-keto-5H-1,4-benzodiazepin-4-yl)propionic acid benzyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2CN(C1=O)C(C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=NC2=CC=CC=C2CN(C1=O)[C@@H](C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-3-18-20(24)23(13-17-11-7-8-12-19(17)22-18)15(2)21(25)26-14-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3/t15-/m0/s1