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

Systemtic Name: ethyl 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: ethyl 3-[[5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid ethyl ester Formula: C32H36N4O5 MolecularWeight: 556.65204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H36N4O5/c1-6-41-30(39)22-11-10-12-23(18-22)33-31(40)34-25-19-35(24-13-8-7-9-14-24)26-16-15-21(2)17-27(26)36(29(25)38)20-28(37)32(3,4)5/h7-18,25H,6,19-20H2,1-5H3,(H2,33,34,40)