(6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(3-fluoranyl-4-methyl-phenyl)-2-propan-2-yl-but-3-enoate

Systemtic Name: (6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(3-fluoranyl-4-methyl-phenyl)-2-propan-2-yl-but-3-enoate Openeye Name: (6-phenoxy-2-pyridyl)methyl (E)-2-cyano-4-(3-fluoro-4-methyl-phenyl)-2-isopropyl-but-3-enoate CAS Name: (E)-2-cyano-4-(3-fluoro-4-methylphenyl)-2-propan-2-yl-3-butenoic acid (6-phenoxy-2-pyridinyl)methyl ester IUPAC Name: (6-phenoxypyridin-2-yl)methyl (E)-2-cyano-4-(3-fluoro-4-methylphenyl)-2-propan-2-ylbut-3-enoate Traditional Name: (E)-2-cyano-4-(3-fluoro-4-methyl-phenyl)-2-isopropyl-but-3-enoic acid (6-phenoxy-2-pyridyl)methyl ester Formula: C27H25FN2O3 MolecularWeight: 444.497403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(C#N)(C(C)C)C(=O)OCC2=NC(=CC=C2)OC3=CC=CC=C3)F

InChI

InChI=1S/C27H25FN2O3/c1-19(2)27(18-29,15-14-21-13-12-20(3)24(28)16-21)26(31)32-17-22-8-7-11-25(30-22)33-23-9-5-4-6-10-23/h4-16,19H,17H2,1-3H3/b15-14+