(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC2=C(C(=NN2C3=CC=CC=C3)C)C#N)OCC

InChI

InChI=1S/C24H25N3O4/c1-4-13-30-22-12-11-18(14-23(22)29-5-2)24(28)31-16-21-20(15-25)17(3)26-27(21)19-9-7-6-8-10-19/h6-12,14H,4-5,13,16H2,1-3H3