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

Systemtic Name: 3-[(4-ethanoyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Openeye Name: 3-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid CAS Name: 3-[(4-acetyl-3,5-dimethyl-1-pyrazolyl)methyl]-4-methoxybenzoic acid IUPAC Name: 3-[(4-acetyl-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxybenzoic acid Traditional Name: 3-[(4-acetyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-methoxy-benzoic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C(=O)O)OC)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)C(=O)O)OC)C)C(=O)C

InChI

InChI=1S/C16H18N2O4/c1-9-15(11(3)19)10(2)18(17-9)8-13-7-12(16(20)21)5-6-14(13)22-4/h5-7H,8H2,1-4H3,(H,20,21)