phenyl azepane-1-carboxylate

Systemtic Name: phenyl azepane-1-carboxylate Openeye Name: phenyl azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid phenyl ester IUPAC Name: phenyl azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid phenyl ester Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)OC2=CC=CC=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C13H17NO2/c15-13(14-10-6-1-2-7-11-14)16-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2