methyl (5E)-8-bromanyl-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate

Systemtic Name: methyl (5E)-8-bromanyl-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-bromo-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylate CAS Name: (5E)-8-bromo-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-bromo-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-bromo-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester Formula: C17H22BrNO2 MolecularWeight: 352.26608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CC(C)CN1CCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)OC

InChI

InChI=1S/C17H22BrNO2/c1-12(2)11-19-8-4-5-13(17(20)21-3)9-14-10-15(18)6-7-16(14)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3/b13-9+