[2-(azepan-1-yl)-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H19NO3/c17-14(16-10-6-1-2-7-11-16)12-19-15(18)13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2