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

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-ethoxybenzoate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=CN(N=C2C3=CC(=C(C=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-4-31-25-14-12-21(13-15-25)27(30)32-18-23-17-29(24-8-6-5-7-9-24)28-26(23)22-11-10-19(2)20(3)16-22/h5-17H,4,18H2,1-3H3