(phenylmethyl) 2,3,4,7-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 2,3,4,7-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 2,3,4,7-tetrahydroazepine-1-carboxylate CAS Name: 2,3,4,7-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,3,4,7-tetrahydroazepine-1-carboxylate Traditional Name: 2,3,4,7-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CCN(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC=CCN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO2/c16-14(15-10-6-1-2-7-11-15)17-12-13-8-4-3-5-9-13/h1,3-6,8-9H,2,7,10-12H2