3-[2-[4-(2-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[2-[4-(2-methylphenyl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]oxy-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(3-pyridinylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[2-[1-hydroxy-4-(2-methylphenyl)-1-oxobutan-2-yl]oxy-4-(pyridin-3-ylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[2-[1-carboxy-3-(o-tolyl)propoxy]-4-(3-pyridylmethoxy)phenyl]-1H-pyrazole-5-carboxylic acid Formula: C27H25N3O6 MolecularWeight: 487.5039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C4=NNC(=C4)C(=O)O

InChI

InChI=1S/C27H25N3O6/c1-17-5-2-3-7-19(17)8-11-24(27(33)34)36-25-13-20(35-16-18-6-4-12-28-15-18)9-10-21(25)22-14-23(26(31)32)30-29-22/h2-7,9-10,12-15,24H,8,11,16H2,1H3,(H,29,30)(H,31,32)(H,33,34)