[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-phenylbutanoate

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 2-phenylbutanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl] 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C22H24N2O4/c1-3-17(16-9-5-4-6-10-16)22(27)28-14-21(26)24-15(2)13-20(25)23-18-11-7-8-12-19(18)24/h4-12,15,17H,3,13-14H2,1-2H3,(H,23,25)