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

Systemtic Name: (5E)-8-bromanyl-1-(phenylmethyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Openeye Name: (5E)-1-benzyl-8-bromo-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid CAS Name: (5E)-8-bromo-1-(phenylmethyl)-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid IUPAC Name: (5E)-1-benzyl-8-bromo-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Traditional Name: (5E)-1-benzyl-8-bromo-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid Formula: C19H18BrNO2 MolecularWeight: 372.25572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=C(C=CC(=C2)Br)N(C1)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C/C(=C\C2=C(C=CC(=C2)Br)N(C1)CC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C19H18BrNO2/c20-17-8-9-18-16(12-17)11-15(19(22)23)7-4-10-21(18)13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,22,23)/b15-11+