ethyl (4Z,6E)-5-ethyl-8-methyl-1-(phenylmethyl)-3,8-dihydro-2H-azocine-7-carboxylate

Systemtic Name: ethyl (4Z,6E)-5-ethyl-8-methyl-1-(phenylmethyl)-3,8-dihydro-2H-azocine-7-carboxylate Openeye Name: ethyl (4Z,6E)-1-benzyl-5-ethyl-8-methyl-3,8-dihydro-2H-azocine-7-carboxylate CAS Name: (4Z,6E)-5-ethyl-8-methyl-1-(phenylmethyl)-3,8-dihydro-2H-azocine-7-carboxylic acid ethyl ester IUPAC Name: ethyl (4Z,6E)-1-benzyl-5-ethyl-8-methyl-3,8-dihydro-2H-azocine-7-carboxylate Traditional Name: (4Z,6E)-1-benzyl-5-ethyl-8-methyl-3,8-dihydro-2H-azocine-7-carboxylic acid ethyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCCN(C(C(=C1)C(=O)OCC)C)CC2=CC=CC=C2

Isomeric SMILES

CC/C/1=C/CCN(C(/C(=C1)/C(=O)OCC)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H27NO2/c1-4-17-12-9-13-21(15-18-10-7-6-8-11-18)16(3)19(14-17)20(22)23-5-2/h6-8,10-12,14,16H,4-5,9,13,15H2,1-3H3/b17-12-,19-14+