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

Systemtic Name: methyl 4-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: methyl 4-[[1-(2,2-dimethylpropanoyl)-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 4-[[[[1-(2,2-dimethyl-1-oxopropyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-(2,2-dimethylpropanoyl)-5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 4-[[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pivaloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid methyl ester Formula: C32H34N4O6 MolecularWeight: 570.63556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=C(C=C4)C(=O)OC)C(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)NC4=CC=C(C=C4)C(=O)OC)C(=O)C(C)(C)C

InChI

InChI=1S/C32H34N4O6/c1-20-10-6-7-11-23(20)27(37)19-35-25-12-8-9-13-26(25)36(30(40)32(2,3)4)18-24(28(35)38)34-31(41)33-22-16-14-21(15-17-22)29(39)42-5/h6-17,24H,18-19H2,1-5H3,(H2,33,34,41)