methyl 2-cycloheptyl-3-phenyl-azepane-1-carboxylate

Systemtic Name: methyl 2-cycloheptyl-3-phenyl-azepane-1-carboxylate Openeye Name: methyl 2-cycloheptyl-3-phenyl-azepane-1-carboxylate CAS Name: 2-cycloheptyl-3-phenyl-1-azepanecarboxylic acid methyl ester IUPAC Name: methyl 2-cycloheptyl-3-phenylazepane-1-carboxylate Traditional Name: 2-cycloheptyl-3-phenyl-azepane-1-carboxylic acid methyl ester Formula: C21H31NO2 MolecularWeight: 329.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCCC(C1C2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1CCCCC(C1C2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO2/c1-24-21(23)22-16-10-9-15-19(17-11-7-4-8-12-17)20(22)18-13-5-2-3-6-14-18/h4,7-8,11-12,18-20H,2-3,5-6,9-10,13-16H2,1H3