methyl 3-(azepan-1-ylcarbonyl)benzoate

Systemtic Name: methyl 3-(azepan-1-ylcarbonyl)benzoate Openeye Name: methyl 3-(azepane-1-carbonyl)benzoate CAS Name: 3-[1-azepanyl(oxo)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(azepane-1-carbonyl)benzoate Traditional Name: 3-(azepane-1-carbonyl)benzoic acid methyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C15H19NO3/c1-19-15(18)13-8-6-7-12(11-13)14(17)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3