(phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate

Systemtic Name: (phenylmethyl) 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate Openeye Name: benzyl 3-(tert-butoxycarbonylamino)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylate Traditional Name: 3-(tert-butoxycarbonylamino)-2-keto-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid benzyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)30-20(27)24-17-13-25(18-12-8-7-11-16(18)23-19(17)26)21(28)29-14-15-9-5-4-6-10-15/h4-12,17H,13-14H2,1-3H3,(H,23,26)(H,24,27)