(phenylmethyl) 7-prop-2-enyl-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-prop-2-enyl-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-allyl-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-prop-2-enyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-prop-2-enyl-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-allyl-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CCCCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C=CCC1=CCCCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-2-9-16-12-7-4-8-13-18(16)17(19)20-14-15-10-5-3-6-11-15/h2-3,5-6,10-12H,1,4,7-9,13-14H2