ethyl 1-methyl-4-phenyl-azepane-4-carboxylate hydrochloride

Systemtic Name: ethyl 1-methyl-4-phenyl-azepane-4-carboxylate hydrochloride Openeye Name: ethyl 1-methyl-4-phenyl-azepane-4-carboxylate hydrochloride CAS Name: 1-methyl-4-phenyl-4-azepanecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-methyl-4-phenylazepane-4-carboxylate hydrochloride Traditional Name: 1-methyl-4-phenyl-azepane-4-carboxylic acid ethyl ester hydrochloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CCOC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H23NO2.ClH/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;/h4-6,8-9H,3,7,10-13H2,1-2H3;1H