(4-pyrazol-1-ylphenyl)methyl 3-methyl-2-oxidanyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methyl-2-oxidanyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16N2O3 MolecularWeight: 308.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

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