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

Systemtic Name: methyl (5E)-8-bromanyl-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazocine-5-carboxylate Openeye Name: methyl (5E)-8-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazocine-5-carboxylate CAS Name: (5E)-8-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester IUPAC Name: methyl (5E)-8-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazocine-5-carboxylate Traditional Name: (5E)-8-bromo-1-p-anisyl-3,4-dihydro-2H-1-benzazocine-5-carboxylic acid methyl ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCC(=CC3=C2C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC/C(=C\C3=C2C=CC(=C3)Br)/C(=O)OC

InChI

InChI=1S/C21H22BrNO3/c1-25-19-8-5-15(6-9-19)14-23-11-3-4-16(21(24)26-2)12-17-13-18(22)7-10-20(17)23/h5-10,12-13H,3-4,11,14H2,1-2H3/b16-12+