7-[3-(2-chloranyl-4-cyclohexyl-phenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid

Systemtic Name: 7-[3-(2-chloranyl-4-cyclohexyl-phenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 7-[3-(2-chloro-4-cyclohexyl-phenoxy)propoxy]-2-ethyl-chromane-2-carboxylic acid CAS Name: 7-[3-(2-chloro-4-cyclohexylphenoxy)propoxy]-2-ethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-(2-chloro-4-cyclohexylphenoxy)propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 7-[3-(2-chloro-4-cyclohexyl-phenoxy)propoxy]-2-ethyl-chroman-2-carboxylic acid Formula: C27H33ClO5 MolecularWeight: 473.00092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C4CCCCC4)Cl)C(=O)O

Isomeric SMILES

CCC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C4CCCCC4)Cl)C(=O)O

InChI

InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)