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

Systemtic Name: (5E)-8-bromanyl-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Openeye Name: (5E)-8-bromo-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid CAS Name: (5E)-8-bromo-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid IUPAC Name: (5E)-8-bromo-1-(2-methylpropyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Traditional Name: (5E)-8-bromo-1-isobutyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO2/c1-11(2)10-18-7-3-4-12(16(19)20)8-13-9-14(17)5-6-15(13)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,19,20)/b12-8+