(phenylmethyl) 6-methyl-8-oxidanylidene-2,3,4,5,6,7-hexahydrocyclopenta[b]azepine-1-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-8-oxidanylidene-2,3,4,5,6,7-hexahydrocyclopenta[b]azepine-1-carboxylate Openeye Name: benzyl 6-methyl-8-oxo-2,3,4,5,6,7-hexahydrocyclopenta[b]azepine-1-carboxylate CAS Name: 6-methyl-8-oxo-2,3,4,5,6,7-hexahydrocyclopenta[b]azepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-8-oxo-2,3,4,5,6,7-hexahydrocyclopenta[b]azepine-1-carboxylate Traditional Name: 8-keto-6-methyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepine-1-carboxylic acid benzyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C1CCCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CC(=O)C2=C1CCCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-13-11-16(20)17-15(13)9-5-6-10-19(17)18(21)22-12-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3