[cyano-(3-phenoxyphenyl)methyl] 4,4-bis(chloranyl)-2-propan-2-yl-butanoate

Systemtic Name: [cyano-(3-phenoxyphenyl)methyl] 4,4-bis(chloranyl)-2-propan-2-yl-butanoate Openeye Name: [cyano-(3-phenoxyphenyl)methyl] 4,4-dichloro-2-isopropyl-butanoate CAS Name: 4,4-dichloro-2-propan-2-ylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 4,4-dichloro-2-propan-2-ylbutanoate Traditional Name: 4,4-dichloro-2-isopropyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester Formula: C21H21Cl2NO3 MolecularWeight: 406.30234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2NO3/c1-14(2)18(12-20(22)23)21(25)27-19(13-24)15-7-6-10-17(11-15)26-16-8-4-3-5-9-16/h3-11,14,18-20H,12H2,1-2H3