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

Systemtic Name: ethyl 2-[5-cyclopropyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-cyclopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-cyclopropyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclopropyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-cyclopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3CC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3CC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O5/c1-3-32-20(29)14-28-22-16(2)8-7-11-19(22)21(18-12-13-18)26-23(24(28)30)27-25(31)33-15-17-9-5-4-6-10-17/h4-11,18,23H,3,12-15H2,1-2H3,(H,27,31)