1-[[4-(2-cyanophenyl)phenyl]methyl]-3-phenylmethoxy-pyrazole-4-carboxylic acid

Systemtic Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-3-phenylmethoxy-pyrazole-4-carboxylic acid Openeye Name: 3-benzyloxy-1-[[4-(2-cyanophenyl)phenyl]methyl]pyrazole-4-carboxylic acid CAS Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-3-phenylmethoxy-4-pyrazolecarboxylic acid IUPAC Name: 1-[[4-(2-cyanophenyl)phenyl]methyl]-3-phenylmethoxypyrazole-4-carboxylic acid Traditional Name: 3-benzoxy-1-[4-(2-cyanophenyl)benzyl]pyrazole-4-carboxylic acid Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NN(C=C2C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=NN(C=C2C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H19N3O3/c26-14-21-8-4-5-9-22(21)20-12-10-18(11-13-20)15-28-16-23(25(29)30)24(27-28)31-17-19-6-2-1-3-7-19/h1-13,16H,15,17H2,(H,29,30)