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

Systemtic Name: ethyl 2-[9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-isopropyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-5-propan-2-yl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-isopropyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5/c1-5-32-20(29)14-28-22-17(4)10-9-13-19(22)21(16(2)3)26-23(24(28)30)27-25(31)33-15-18-11-7-6-8-12-18/h6-13,16,23H,5,14-15H2,1-4H3,(H,27,31)