methyl (6E)-9-bromanyl-1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate

Systemtic Name: methyl (6E)-9-bromanyl-1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Openeye Name: methyl (6E)-9-bromo-1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate CAS Name: (6E)-9-bromo-1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester IUPAC Name: methyl (6E)-9-bromo-1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylate Traditional Name: (6E)-9-bromo-1-p-anisyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid methyl ester Formula: C22H24BrNO3 MolecularWeight: 430.33486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCCC(=CC3=C2C=CC(=C3)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO3/c1-26-20-9-6-16(7-10-20)15-24-12-4-3-5-17(22(25)27-2)13-18-14-19(23)8-11-21(18)24/h6-11,13-14H,3-5,12,15H2,1-2H3/b17-13+