[cyano-(3-phenoxyphenyl)methyl] (E)-5-chloranyl-2-propan-2-yl-3-(trifluoromethyl)pent-4-enoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloranyl-2-propan-2-yl-3-(trifluoromethyl)pent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-2-isopropyl-3-(trifluoromethyl)pent-4-enoate CAS Name: (E)-5-chloro-2-propan-2-yl-3-(trifluoromethyl)-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-2-propan-2-yl-3-(trifluoromethyl)pent-4-enoate Traditional Name: (E)-5-chloro-2-isopropyl-3-(trifluoromethyl)pent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C23H21ClF3NO3 MolecularWeight: 451.86595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=CCl)C(F)(F)F)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(/C=C/Cl)C(F)(F)F)C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C23H21ClF3NO3/c1-15(2)21(19(11-12-24)23(25,26)27)22(29)31-20(14-28)16-7-6-10-18(13-16)30-17-8-4-3-5-9-17/h3-13,15,19-21H,1-2H3/b12-11+