[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methyl-3-oxidanyl-benzoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C(=CC(=N3)C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)N3C(=CC(=N3)C)C)O

InChI

InChI=1S/C20H20N2O3/c1-13-4-7-17(11-19(13)23)20(24)25-12-16-5-8-18(9-6-16)22-15(3)10-14(2)21-22/h4-11,23H,12H2,1-3H3