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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(=CC2=C1C=CC(=C2)Br)C(=O)OC

Isomeric SMILES

CCCN1CCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)OC

InChI

InChI=1S/C16H20BrNO2/c1-3-8-18-9-4-5-12(16(19)20-2)10-13-11-14(17)6-7-15(13)18/h6-7,10-11H,3-5,8-9H2,1-2H3/b12-10+