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

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic 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-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C)OC

InChI

InChI=1S/C24H28N2O6/c1-4-5-12-31-20-11-10-17(14-21(20)30-3)24(29)32-15-23(28)26-16(2)13-22(27)25-18-8-6-7-9-19(18)26/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,25,27)