ethyl (4R)-6-cyclohexyloxy-2,3-bis(oxidanylidene)-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylate

Systemtic Name: ethyl (4R)-6-cyclohexyloxy-2,3-bis(oxidanylidene)-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylate Openeye Name: ethyl (4R)-6-(cyclohexoxy)-2,3-dioxo-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylate CAS Name: (4R)-6-cyclohexyloxy-2,3-dioxo-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-cyclohexyloxy-2,3-dioxo-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylate Traditional Name: (4R)-6-(cyclohexoxy)-2,3-diketo-7-phenyl-4,5-dihydro-1H-azepine-4-carboxylic acid ethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(=C(NC(=O)C1=O)C2=CC=CC=C2)OC3CCCCC3

Isomeric SMILES

CCOC(=O)[C@@H]1CC(=C(NC(=O)C1=O)C2=CC=CC=C2)OC3CCCCC3

InChI

InChI=1S/C21H25NO5/c1-2-26-21(25)16-13-17(27-15-11-7-4-8-12-15)18(22-20(24)19(16)23)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,22,24)/t16-/m1/s1