ethyl 2-[9-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[9-methyl-5-(2-methylpropyl)-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-isobutyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[9-methyl-5-(2-methylpropyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[9-methyl-5-(2-methylpropyl)-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-isobutyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C26H31N3O5 MolecularWeight: 465.54144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)CC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)CC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O5/c1-5-33-22(30)15-29-23-18(4)10-9-13-20(23)21(14-17(2)3)27-24(25(29)31)28-26(32)34-16-19-11-7-6-8-12-19/h6-13,17,24H,5,14-16H2,1-4H3,(H,28,32)