(4-pyrazol-1-ylphenyl)methyl 3-methylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H16N2O2 MolecularWeight: 292.33184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2/c1-14-4-2-5-16(12-14)18(21)22-13-15-6-8-17(9-7-15)20-11-3-10-19-20/h2-12H,13H2,1H3