(phenylmethyl) 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-[(E)-hex-1-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1=CCCCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC/C=C/C1=CCCCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2/c1-2-3-4-9-14-19-15-10-6-11-16-21(19)20(22)23-17-18-12-7-5-8-13-18/h5,7-9,12-15H,2-4,6,10-11,16-17H2,1H3/b14-9+