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

Systemtic Name: (phenylmethyl) 7-[(E)-hex-2-enoyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-[(E)-hex-2-enoyl]-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-[(E)-1-oxohex-2-enyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(E)-hex-2-enoyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-[(E)-hex-2-enoyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-2-3-6-14-19(22)18-13-9-5-10-15-21(18)20(23)24-16-17-11-7-4-8-12-17/h4,6-8,11-14H,2-3,5,9-10,15-16H2,1H3/b14-6+