2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyloxymethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoyloxymethyl 2,2-dimethylpropanoate Openeye Name: [2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]-1-oxoethoxy]methyl ester IUPAC Name: [2-[3-(1H-indole-2-carbonylamino)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]oxymethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[3-(1H-indole-2-carbonylamino)-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetyl]oxymethyl ester Formula: C32H30N4O6 MolecularWeight: 566.6038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5

InChI

InChI=1S/C32H30N4O6/c1-32(2,3)31(40)42-19-41-26(37)18-36-25-16-10-8-14-22(25)27(20-11-5-4-6-12-20)34-28(30(36)39)35-29(38)24-17-21-13-7-9-15-23(21)33-24/h4-17,28,33H,18-19H2,1-3H3,(H,35,38)