methyl 4-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methoxy]-3-methoxybenzoate Traditional Name: 4-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC2=C(C=C(C=C2)C(=O)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC2=C(C=C(C=C2)C(=O)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-14-17(12-22)18(24(23-14)16-7-5-4-6-8-16)13-28-19-10-9-15(21(25)27-3)11-20(19)26-2/h4-11H,13H2,1-3H3