methyl 4-(azepan-1-ylmethyl)benzoate

Systemtic Name: methyl 4-(azepan-1-ylmethyl)benzoate Openeye Name: methyl 4-(azepan-1-ylmethyl)benzoate CAS Name: 4-(1-azepanylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(azepan-1-ylmethyl)benzoate Traditional Name: 4-(azepan-1-ylmethyl)benzoic acid methyl ester Formula: C15H21NO2 MolecularWeight: 247.33274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCCCC2

InChI

InChI=1S/C15H21NO2/c1-18-15(17)14-8-6-13(7-9-14)12-16-10-4-2-3-5-11-16/h6-9H,2-5,10-12H2,1H3