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

Systemtic Name: ethyl 2-[5-cyclohexyl-9-methyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-cyclohexyl-9-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C(=O)C(N=C(C2=C1C(=CC=C2)C)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O5/c1-3-35-23(32)17-31-25-19(2)11-10-16-22(25)24(21-14-8-5-9-15-21)29-26(27(31)33)30-28(34)36-18-20-12-6-4-7-13-20/h4,6-7,10-13,16,21,26H,3,5,8-9,14-15,17-18H2,1-2H3,(H,30,34)