methyl 5-bromanyl-3-[(3,4-dimethoxy-5-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-bromanyl-3-[(3,4-dimethoxy-5-oxidanyl-phenyl)methyl]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[(3-hydroxy-4,5-dimethoxy-phenyl)methyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-(3-hydroxy-4,5-dimethoxy-benzyl)-1H-indole-2-carboxylic acid methyl ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)CC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)CC2=C(NC3=C2C=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C19H18BrNO5/c1-24-16-8-10(7-15(22)18(16)25-2)6-13-12-9-11(20)4-5-14(12)21-17(13)19(23)26-3/h4-5,7-9,21-22H,6H2,1-3H3