1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]pyridin-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]pyridin-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]-2-pyridyl]pyrazole-4-carboxylic acid CAS Name: 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]-2-pyridinyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[5-[[4-(2-cyanophenyl)phenyl]methoxymethyl]pyridin-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[5-[[4-(2-cyanophenyl)benzyl]oxymethyl]-2-pyridyl]pyrazole-4-carboxylic acid Formula: C24H18N4O3 MolecularWeight: 410.42472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COCC3=CN=C(C=C3)N4C=C(C=N4)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COCC3=CN=C(C=C3)N4C=C(C=N4)C(=O)O

InChI

InChI=1S/C24H18N4O3/c25-11-20-3-1-2-4-22(20)19-8-5-17(6-9-19)15-31-16-18-7-10-23(26-12-18)28-14-21(13-27-28)24(29)30/h1-10,12-14H,15-16H2,(H,29,30)