methyl 4-(4,4-dimethyl-5-phenyl-pyrazol-3-yl)benzoate

Systemtic Name: methyl 4-(4,4-dimethyl-5-phenyl-pyrazol-3-yl)benzoate Openeye Name: methyl 4-(4,4-dimethyl-5-phenyl-pyrazol-3-yl)benzoate CAS Name: 4-(4,4-dimethyl-5-phenyl-3-pyrazolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,4-dimethyl-5-phenylpyrazol-3-yl)benzoate Traditional Name: 4-(4,4-dimethyl-5-phenyl-pyrazol-3-yl)benzoic acid methyl ester Formula: C19H18N2O2 MolecularWeight: 306.35842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN=C1C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C(=NN=C1C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O2/c1-19(2)16(13-7-5-4-6-8-13)20-21-17(19)14-9-11-15(12-10-14)18(22)23-3/h4-12H,1-3H3