methyl 3-[[3-(3,4-dimethoxyphenyl)-4-methanoyl-pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-(3,4-dimethoxyphenyl)-4-methanoyl-pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-(3,4-dimethoxyphenyl)-4-formyl-pyrazol-1-yl]methyl]benzoate CAS Name: 3-[[3-(3,4-dimethoxyphenyl)-4-formyl-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-(3,4-dimethoxyphenyl)-4-formylpyrazol-1-yl]methyl]benzoate Traditional Name: 3-[[3-(3,4-dimethoxyphenyl)-4-formyl-pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC(=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=O)CC3=CC=CC(=C3)C(=O)OC)OC

InChI

InChI=1S/C21H20N2O5/c1-26-18-8-7-15(10-19(18)27-2)20-17(13-24)12-23(22-20)11-14-5-4-6-16(9-14)21(25)28-3/h4-10,12-13H,11H2,1-3H3