(1,3-diphenylpyrazol-4-yl)methyl 3,4-dimethylbenzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4-dimethylbenzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C25H22N2O2 MolecularWeight: 382.45438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O2/c1-18-13-14-21(15-19(18)2)25(28)29-17-22-16-27(23-11-7-4-8-12-23)26-24(22)20-9-5-3-6-10-20/h3-16H,17H2,1-2H3