methyl 2-[[4-(2-methylpropyl)-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 2-[[4-(2-methylpropyl)-5-oxidanylidene-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 2-(4-isobutyl-5-oxo-1,4-diazepane-1-carbonyl)benzoate CAS Name: 2-[[4-(2-methylpropyl)-5-oxo-1,4-diazepan-1-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylpropyl)-5-oxo-1,4-diazepane-1-carbonyl]benzoate Traditional Name: 2-(4-isobutyl-5-keto-1,4-diazepane-1-carbonyl)benzoic acid methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CCC1=O)C(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)CN1CCN(CCC1=O)C(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H24N2O4/c1-13(2)12-20-11-10-19(9-8-16(20)21)17(22)14-6-4-5-7-15(14)18(23)24-3/h4-7,13H,8-12H2,1-3H3