(4-pyrazol-1-ylphenyl)methyl 3,5-dimethylbenzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3,5-dimethylbenzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2/c1-14-10-15(2)12-17(11-14)19(22)23-13-16-4-6-18(7-5-16)21-9-3-8-20-21/h3-12H,13H2,1-2H3