(4-cyanophenyl)methyl 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (4-cyanophenyl)methyl 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyanophenyl)methyl 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (4-cyanobenzyl) ester Formula: C27H21N3O3 MolecularWeight: 435.47394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H21N3O3/c1-32-25-14-11-22(12-15-25)27-23(18-30(29-27)24-5-3-2-4-6-24)13-16-26(31)33-19-21-9-7-20(17-28)8-10-21/h2-16,18H,19H2,1H3