5-[5-[3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]pyridin-3-yl]-3-methyl-indazole-1-carboxylic acid

Systemtic Name: 5-[5-[3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]pyridin-3-yl]-3-methyl-indazole-1-carboxylic acid Openeye Name: 5-[5-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid CAS Name: 5-[5-[3-(1-benzimidazolyl)-2-hydroxypropoxy]-3-pyridinyl]-3-methyl-1-indazolecarboxylic acid IUPAC Name: 5-[5-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]pyridin-3-yl]-3-methylindazole-1-carboxylic acid Traditional Name: 5-[5-[3-(benzimidazol-1-yl)-2-hydroxy-propoxy]-3-pyridyl]-3-methyl-indazole-1-carboxylic acid Formula: C24H21N5O4 MolecularWeight: 443.45464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)OCC(CN4C=NC5=CC=CC=C54)O)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C=C(C=C2)C3=CC(=CN=C3)OCC(CN4C=NC5=CC=CC=C54)O)C(=O)O

InChI

InChI=1S/C24H21N5O4/c1-15-20-9-16(6-7-22(20)29(27-15)24(31)32)17-8-19(11-25-10-17)33-13-18(30)12-28-14-26-21-4-2-3-5-23(21)28/h2-11,14,18,30H,12-13H2,1H3,(H,31,32)