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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4)C(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C4=CC=CC=C4)C(=O)C(C)(C)C

InChI

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