6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)-5-methyl-pyrrol-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-(2-benzyloxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methyl-1-pyrrolyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-(2-benzoxy-5-bromo-phenyl)-5-methyl-pyrrol-1-yl]picolinic acid Formula: C24H19BrN2O3 MolecularWeight: 463.32326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2O3/c1-16-10-12-21(27(16)23-9-5-8-20(26-23)24(28)29)19-14-18(25)11-13-22(19)30-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,28,29)