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

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloranyl-2,3-di(propan-2-yl)pent-4-enoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-2,3-diisopropyl-pent-4-enoate CAS Name: (E)-5-chloro-2,3-di(propan-2-yl)-4-pentenoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] (E)-5-chloro-2,3-di(propan-2-yl)pent-4-enoate Traditional Name: (E)-5-chloro-2,3-diisopropyl-pent-4-enoic acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO3/c1-17(2)22(13-14-26)24(18(3)4)25(28)30-23(16-27)19-9-8-12-21(15-19)29-20-10-6-5-7-11-20/h5-15,17-18,22-24H,1-4H3/b14-13+