methyl 2-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(5-bromanyl-2-oxidanyl-phenyl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(5-bromo-2-hydroxy-benzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(5-bromo-2-hydroxybenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(5-bromo-2-hydroxy-benzoyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NC3=C2CN(CC3)C(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C20H17BrN2O4/c1-27-20(26)11-2-4-16-13(8-11)15-10-23(7-6-17(15)22-16)19(25)14-9-12(21)3-5-18(14)24/h2-5,8-9,22,24H,6-7,10H2,1H3