ethyl 3-[[1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 3-[[1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(2,2-dimethyl-1-oxobutyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(2,2-dimethylbutanoyl)-7-methyl-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-(2,2-dimethylbutanoyl)-4-keto-5-[2-keto-2-(o-tolyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C35H40N4O6 MolecularWeight: 612.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1CC(C(=O)N(C2=C1C=CC(=C2)C)CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C(=O)N1CC(C(=O)N(C2=C1C=CC(=C2)C)CC(=O)C3=CC=CC=C3C)NC(=O)NC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C35H40N4O6/c1-7-35(5,6)33(43)39-20-27(37-34(44)36-25-14-11-13-24(19-25)32(42)45-8-2)31(41)38(29-18-22(3)16-17-28(29)39)21-30(40)26-15-10-9-12-23(26)4/h9-19,27H,7-8,20-21H2,1-6H3,(H2,36,37,44)