3-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(2-benzyloxy-5-chloro-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(2-benzoxy-5-chloro-4-methyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C3=NNC(=C3)C(=O)O)Cl

InChI

InChI=1S/C18H15ClN2O3/c1-11-7-17(24-10-12-5-3-2-4-6-12)13(8-14(11)19)15-9-16(18(22)23)21-20-15/h2-9H,10H2,1H3,(H,20,21)(H,22,23)