(1-phenylpyrazol-4-yl)methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)O

InChI

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