(phenylmethyl) 2-(2-methylpropyl)-7-oxidanylidene-5,6-dihydro-2H-azepine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(2-methylpropyl)-7-oxidanylidene-5,6-dihydro-2H-azepine-1-carboxylate Openeye Name: benzyl 2-isobutyl-7-oxo-5,6-dihydro-2H-azepine-1-carboxylate CAS Name: 2-(2-methylpropyl)-7-oxo-5,6-dihydro-2H-azepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-methylpropyl)-7-oxo-5,6-dihydro-2H-azepine-1-carboxylate Traditional Name: 2-isobutyl-7-keto-5,6-dihydro-2H-azepine-1-carboxylic acid benzyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C=CCCC(=O)N1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC1C=CCCC(=O)N1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c1-14(2)12-16-10-6-7-11-17(20)19(16)18(21)22-13-15-8-4-3-5-9-15/h3-6,8-10,14,16H,7,11-13H2,1-2H3