3-(oxan-2-yloxy)propyl 4-cyano-2-[(3,4-dichlorophenyl)methyl]-2-ethyl-butanoate

Systemtic Name: 3-(oxan-2-yloxy)propyl 4-cyano-2-[(3,4-dichlorophenyl)methyl]-2-ethyl-butanoate Openeye Name: 3-tetrahydropyran-2-yloxypropyl 4-cyano-2-[(3,4-dichlorophenyl)methyl]-2-ethyl-butanoate CAS Name: 4-cyano-2-[(3,4-dichlorophenyl)methyl]-2-ethylbutanoic acid 3-(2-oxanyloxy)propyl ester IUPAC Name: 3-(oxan-2-yloxy)propyl 4-cyano-2-[(3,4-dichlorophenyl)methyl]-2-ethylbutanoate Traditional Name: 4-cyano-2-(3,4-dichlorobenzyl)-2-ethyl-butyric acid 3-tetrahydropyran-2-yloxypropyl ester Formula: C22H29Cl2NO4 MolecularWeight: 442.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC#N)(CC1=CC(=C(C=C1)Cl)Cl)C(=O)OCCCOC2CCCCO2

Isomeric SMILES

CCC(CCC#N)(CC1=CC(=C(C=C1)Cl)Cl)C(=O)OCCCOC2CCCCO2

InChI

InChI=1S/C22H29Cl2NO4/c1-2-22(10-5-11-25,16-17-8-9-18(23)19(24)15-17)21(26)29-14-6-13-28-20-7-3-4-12-27-20/h8-9,15,20H,2-7,10,12-14,16H2,1H3