[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C31H34N2O4 MolecularWeight: 498.61266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N2O4/c1-6-35-29-17-25(14-15-28(29)36-19-21(2)3)31(34)37-20-26-18-33(27-10-8-7-9-11-27)32-30(26)24-13-12-22(4)23(5)16-24/h7-18,21H,6,19-20H2,1-5H3