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

Systemtic Name: [2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl] 3-(4-fluoranylphenoxy)propanoate Openeye Name: [2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl] 3-(4-fluorophenoxy)propanoate CAS Name: 3-(4-fluorophenoxy)propanoic 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] 3-(4-fluorophenoxy)propanoate Traditional Name: 3-(4-fluorophenoxy)propionic acid [2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl] ester Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O5/c1-14-12-19(25)23-17-4-2-3-5-18(17)24(14)20(26)13-29-21(27)10-11-28-16-8-6-15(22)7-9-16/h2-9,14H,10-13H2,1H3,(H,23,25)