(1,3-dimethyl-4-phenyl-azepan-4-yl) propanoate

Systemtic Name: (1,3-dimethyl-4-phenyl-azepan-4-yl) propanoate Openeye Name: (1,3-dimethyl-4-phenyl-azepan-4-yl) propanoate CAS Name: propanoic acid (1,3-dimethyl-4-phenyl-4-azepanyl) ester IUPAC Name: (1,3-dimethyl-4-phenylazepan-4-yl) propanoate Traditional Name: propionic acid (1,3-dimethyl-4-phenyl-azepan-4-yl) ester Formula: C17H25NO2 MolecularWeight: 275.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CCCN(CC1C)C)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1(CCCN(CC1C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-4-16(19)20-17(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