[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-methanoylbenzoate

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-methanoylbenzoate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C26H22N2O3 MolecularWeight: 410.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)C=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(C=C3)C=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H22N2O3/c1-18-8-11-22(14-19(18)2)25-23(15-28(27-25)24-6-4-3-5-7-24)17-31-26(30)21-12-9-20(16-29)10-13-21/h3-16H,17H2,1-2H3