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

Systemtic Name: (phenylmethyl) 7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-[(1E)-1-ethoxybuta-1,3-dienyl]-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-[(1E)-1-ethoxybuta-1,3-dienyl]-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:

CCOC(=CC=C)C1=CCCCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3/c1-3-11-19(23-4-2)18-14-9-6-10-15-21(18)20(22)24-16-17-12-7-5-8-13-17/h3,5,7-8,11-14H,1,4,6,9-10,15-16H2,2H3/b19-11+