bis(phenylmethyl) 2-[4-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[4-(8-oxidanyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate Openeye Name: dibenzyl 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate CAS Name: 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[[2-(trifluoromethyl)phenyl]methyl]propanedioate Traditional Name: 2-[4-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)butyl]-2-[2-(trifluoromethyl)benzyl]malonic acid dibenzyl ester Formula: C35H35F3N4O5 MolecularWeight: 648.67141

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(NC=N1)N(C=N2)CCCCC(CC3=CC=CC=C3C(F)(F)F)(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

C1C(C2=C(NC=N1)N(C=N2)CCCCC(CC3=CC=CC=C3C(F)(F)F)(C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C35H35F3N4O5/c36-35(37,38)28-16-8-7-15-27(28)19-34(32(44)46-21-25-11-3-1-4-12-25,33(45)47-22-26-13-5-2-6-14-26)17-9-10-18-42-24-41-30-29(43)20-39-23-40-31(30)42/h1-8,11-16,23-24,29,43H,9-10,17-22H2,(H,39,40)