2-(3-bromanylpyridin-4-yl)carbonyl-1-[(4-methoxyphenyl)methyl]indole-3-carboxylic acid

Systemtic Name: 2-(3-bromanylpyridin-4-yl)carbonyl-1-[(4-methoxyphenyl)methyl]indole-3-carboxylic acid Openeye Name: 2-(3-bromopyridine-4-carbonyl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxylic acid CAS Name: 2-[(3-bromo-4-pyridinyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-3-indolecarboxylic acid IUPAC Name: 2-(3-bromopyridine-4-carbonyl)-1-[(4-methoxyphenyl)methyl]indole-3-carboxylic acid Traditional Name: 2-(3-bromoisonicotinoyl)-1-p-anisyl-indole-3-carboxylic acid Formula: C23H17BrN2O4 MolecularWeight: 465.29608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)C4=C(C=NC=C4)Br)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=C2C(=O)C4=C(C=NC=C4)Br)C(=O)O

InChI

InChI=1S/C23H17BrN2O4/c1-30-15-8-6-14(7-9-15)13-26-19-5-3-2-4-17(19)20(23(28)29)21(26)22(27)16-10-11-25-12-18(16)24/h2-12H,13H2,1H3,(H,28,29)