4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-(oxan-3-yloxy)heptanoic acid

Systemtic Name: 4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-(oxan-3-yloxy)heptanoic acid Openeye Name: 4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-tetrahydropyran-3-yloxy-heptanoic acid CAS Name: 4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-(3-oxanyloxy)heptanoic acid IUPAC Name: 4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-(oxan-3-yloxy)heptanoic acid Traditional Name: 4-cyano-4-(3,4-dichlorophenyl)-2-ethyl-5-tetrahydropyran-3-yloxy-enanthic acid Formula: C21H27Cl2NO4 MolecularWeight: 428.34938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C#N)(C1=CC(=C(C=C1)Cl)Cl)C(CC)OC2CCCOC2)C(=O)O

Isomeric SMILES

CCC(CC(C#N)(C1=CC(=C(C=C1)Cl)Cl)C(CC)OC2CCCOC2)C(=O)O

InChI

InChI=1S/C21H27Cl2NO4/c1-3-14(20(25)26)11-21(13-24,15-7-8-17(22)18(23)10-15)19(4-2)28-16-6-5-9-27-12-16/h7-8,10,14,16,19H,3-6,9,11-12H2,1-2H3,(H,25,26)