ethyl 1,3-dimethyl-4-phenyl-azepane-4-carboxylate

Systemtic Name: ethyl 1,3-dimethyl-4-phenyl-azepane-4-carboxylate Openeye Name: ethyl 1,3-dimethyl-4-phenyl-azepane-4-carboxylate CAS Name: 1,3-dimethyl-4-phenyl-4-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 1,3-dimethyl-4-phenylazepane-4-carboxylate Traditional Name: 1,3-dimethyl-4-phenyl-azepane-4-carboxylic acid ethyl ester Formula: C17H25NO2 MolecularWeight: 275.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(CC1C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CCCN(CC1C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-4-20-16(19)17(15-9-6-5-7-10-15)11-8-12-18(3)13-14(17)2/h5-7,9-10,14H,4,8,11-13H2,1-3H3