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

Systemtic Name: ethyl 2-[5,9-dimethyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5,9-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,9-dimethyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-4-30-19(27)13-26-20-15(2)9-8-12-18(20)16(3)24-21(22(26)28)25-23(29)31-14-17-10-6-5-7-11-17/h5-12,21H,4,13-14H2,1-3H3,(H,25,29)