ethyl 5-cyano-2-[(3,4-dichlorophenyl)methyl]-7-(oxan-2-yloxy)heptanoate

Systemtic Name: ethyl 5-cyano-2-[(3,4-dichlorophenyl)methyl]-7-(oxan-2-yloxy)heptanoate Openeye Name: ethyl 5-cyano-2-[(3,4-dichlorophenyl)methyl]-7-tetrahydropyran-2-yloxy-heptanoate CAS Name: 5-cyano-2-[(3,4-dichlorophenyl)methyl]-7-(2-oxanyloxy)heptanoic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-[(3,4-dichlorophenyl)methyl]-7-(oxan-2-yloxy)heptanoate Traditional Name: 5-cyano-2-(3,4-dichlorobenzyl)-7-tetrahydropyran-2-yloxy-enanthic acid ethyl ester Formula: C22H29Cl2NO4 MolecularWeight: 442.37596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(CCOC1CCCCO1)C#N)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C(CCC(CCOC1CCCCO1)C#N)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H29Cl2NO4/c1-2-27-22(26)18(13-17-7-9-19(23)20(24)14-17)8-6-16(15-25)10-12-29-21-5-3-4-11-28-21/h7,9,14,16,18,21H,2-6,8,10-13H2,1H3