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

Systemtic Name: ethyl 2-[5-(methoxymethyl)-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-(methoxymethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(methoxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(methoxymethyl)-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-5-(methoxymethyl)-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6/c1-4-32-20(28)13-27-21-16(2)9-8-12-18(21)19(15-31-3)25-22(23(27)29)26-24(30)33-14-17-10-6-5-7-11-17/h5-12,22H,4,13-15H2,1-3H3,(H,26,30)