ethyl 2-[3-(2-chloranylphenoxy)-2-methoxy-phenyl]-2-cyano-pentanoate

Systemtic Name: ethyl 2-[3-(2-chloranylphenoxy)-2-methoxy-phenyl]-2-cyano-pentanoate Openeye Name: ethyl 2-[3-(2-chlorophenoxy)-2-methoxy-phenyl]-2-cyano-pentanoate CAS Name: 2-[3-(2-chlorophenoxy)-2-methoxyphenyl]-2-cyanopentanoic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-chlorophenoxy)-2-methoxyphenyl]-2-cyanopentanoate Traditional Name: 2-[3-(2-chlorophenoxy)-2-methoxy-phenyl]-2-cyano-valeric acid ethyl ester Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#N)(C1=C(C(=CC=C1)OC2=CC=CC=C2Cl)OC)C(=O)OCC

Isomeric SMILES

CCCC(C#N)(C1=C(C(=CC=C1)OC2=CC=CC=C2Cl)OC)C(=O)OCC

InChI

InChI=1S/C21H22ClNO4/c1-4-13-21(14-23,20(24)26-5-2)15-9-8-12-18(19(15)25-3)27-17-11-7-6-10-16(17)22/h6-12H,4-5,13H2,1-3H3