(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4/c1-4-12-29-21-11-10-17(13-22(21)28-3)23(27)30-15-20-19(14-24)16(2)25-26(20)18-8-6-5-7-9-18/h4-11,13H,1,12,15H2,2-3H3