methyl 2-(azepan-1-ylmethyl)benzoate

Systemtic Name: methyl 2-(azepan-1-ylmethyl)benzoate Openeye Name: methyl 2-(azepan-1-ylmethyl)benzoate CAS Name: 2-(1-azepanylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-(azepan-1-ylmethyl)benzoate Traditional Name: 2-(azepan-1-ylmethyl)benzoic acid methyl ester Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCCCCC2

InChI

InChI=1S/C15H21NO2/c1-18-15(17)14-9-5-4-8-13(14)12-16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-12H2,1H3