(E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3/c1-15(2)28-20-10-8-16(9-11-20)21-18(12-17(13-23)22(26)27)14-25(24-21)19-6-4-3-5-7-19/h3-12,14-15H,1-2H3,(H,26,27)/b17-12+