methyl (5R)-5-[(3E)-hexa-3,5-dienyl]-7-oxidanylidene-2,6-dihydro-1H-azepine-5-carboxylate

Systemtic Name: methyl (5R)-5-[(3E)-hexa-3,5-dienyl]-7-oxidanylidene-2,6-dihydro-1H-azepine-5-carboxylate Openeye Name: methyl (5R)-5-[(3E)-hexa-3,5-dienyl]-7-oxo-2,6-dihydro-1H-azepine-5-carboxylate CAS Name: (5R)-5-[(3E)-hexa-3,5-dienyl]-7-oxo-2,6-dihydro-1H-azepine-5-carboxylic acid methyl ester IUPAC Name: methyl (5R)-5-[(3E)-hexa-3,5-dienyl]-7-oxo-2,6-dihydro-1H-azepine-5-carboxylate Traditional Name: (5R)-5-[(3E)-hexa-3,5-dienyl]-7-keto-2,6-dihydro-1H-azepine-5-carboxylic acid methyl ester Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(=O)NCC=C1)CCC=CC=C

Isomeric SMILES

COC(=O)[C@@]1(CC(=O)NCC=C1)CC/C=C/C=C

InChI

InChI=1S/C14H19NO3/c1-3-4-5-6-8-14(13(17)18-2)9-7-10-15-12(16)11-14/h3-5,7,9H,1,6,8,10-11H2,2H3,(H,15,16)/b5-4+/t14-/m0/s1