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

Systemtic Name: (2R)-7-[3-(2-chloranyl-4-cyclohexyl-phenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: (2R)-7-[3-(2-chloro-4-cyclohexyl-phenoxy)propoxy]-2-methyl-chromane-2-carboxylic acid CAS Name: (2R)-7-[3-(2-chloro-4-cyclohexylphenoxy)propoxy]-2-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: (2R)-7-[3-(2-chloro-4-cyclohexylphenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: (2R)-7-[3-(2-chloro-4-cyclohexyl-phenoxy)propoxy]-2-methyl-chroman-2-carboxylic acid Formula: C26H31ClO5 MolecularWeight: 458.97434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C4CCCCC4)Cl)C(=O)O

Isomeric SMILES

C[C@@]1(CCC2=C(O1)C=C(C=C2)OCCCOC3=C(C=C(C=C3)C4CCCCC4)Cl)C(=O)O

InChI

InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1