2-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-5-methoxy-benzoic acid

Systemtic Name: 2-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-5-methoxy-benzoic acid Openeye Name: 2-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-5-methoxy-benzoic acid CAS Name: 2-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-5-methoxybenzoic acid IUPAC Name: 2-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-5-methoxybenzoic acid Traditional Name: 2-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-5-methoxy-benzoic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)C2=C(C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)C2=C(C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C16H17N3O3/c1-10-15(11(2)19(18-10)8-4-7-17)13-6-5-12(22-3)9-14(13)16(20)21/h5-6,9H,4,8H2,1-3H3,(H,20,21)