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

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic 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] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C24H28N2O5/c1-3-4-7-14-30-19-12-10-18(11-13-19)24(29)31-16-23(28)26-17(2)15-22(27)25-20-8-5-6-9-21(20)26/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,25,27)