dimethyl (3E,5E)-2-[(2-bromophenyl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl (3E,5E)-2-[(2-bromophenyl)methyl]-1-ethenyl-9-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl (3E,5E)-2-[(2-bromophenyl)methyl]-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: (3E,5E)-2-[(2-bromophenyl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3E,5E)-2-[(2-bromophenyl)methyl]-1-ethenyl-9-hydroxy-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: (3E,5E)-2-(2-bromobenzyl)-9-hydroxy-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C24H22BrNO5 MolecularWeight: 484.33918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC=CC=C3Br)C=C

Isomeric SMILES

COC(=O)/C/1=C/C2=C(C=C(C=C2)O)C(N(/C=C1/C(=O)OC)CC3=CC=CC=C3Br)C=C

InChI

InChI=1S/C24H22BrNO5/c1-4-22-18-12-17(27)10-9-15(18)11-19(23(28)30-2)20(24(29)31-3)14-26(22)13-16-7-5-6-8-21(16)25/h4-12,14,22,27H,1,13H2,2-3H3/b19-11+,20-14+