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

Systemtic Name: (2-cyanophenyl)methyl 3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-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 (2-cyanophenyl)methyl ester IUPAC Name: (2-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 (2-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=CC=C3C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OCC3=CC=CC=C3C#N)C4=CC=CC=C4

InChI

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