3-[(2-oxidanylideneazepan-1-yl)methyl]benzoate

Systemtic Name: 3-[(2-oxidanylideneazepan-1-yl)methyl]benzoate Openeye Name: 3-[(2-oxoazepan-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-azepanyl)methyl]benzoate IUPAC Name: 3-[(2-oxoazepan-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketoazepan-1-yl)methyl]benzoate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H17NO3/c16-13-7-2-1-3-8-15(13)10-11-5-4-6-12(9-11)14(17)18/h4-6,9H,1-3,7-8,10H2,(H,17,18)/p-1