[1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chloranyl-2-propan-2-yl-phenyl)ethanoate

Systemtic Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chloranyl-2-propan-2-yl-phenyl)ethanoate Openeye Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chloro-2-isopropyl-phenyl)acetate CAS Name: 2-(4-chloro-2-propan-2-ylphenyl)acetic acid [1-cyano-2-(3-phenoxyphenyl)ethyl] ester IUPAC Name: [1-cyano-2-(3-phenoxyphenyl)ethyl] 2-(4-chloro-2-propan-2-ylphenyl)acetate Traditional Name: 2-(4-chloro-2-isopropyl-phenyl)acetic acid [1-cyano-2-(3-phenoxyphenyl)ethyl] ester Formula: C26H24ClNO3 MolecularWeight: 433.92666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Cl)CC(=O)OC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Cl)CC(=O)OC(CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H24ClNO3/c1-18(2)25-16-21(27)12-11-20(25)15-26(29)31-24(17-28)14-19-7-6-10-23(13-19)30-22-8-4-3-5-9-22/h3-13,16,18,24H,14-15H2,1-2H3