3-(3-methyl-4-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3-methyl-4-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-benzyloxy-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3-methyl-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3-methyl-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-benzoxy-3-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=C2)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O3/c1-12-9-14(15-10-16(18(21)22)20-19-15)7-8-17(12)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)(H,21,22)