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

Systemtic Name: (2R)-7-[3-(2-chloranyl-4-ethoxy-phenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: (2R)-7-[3-(2-chloro-4-ethoxy-phenoxy)propoxy]-2-methyl-chromane-2-carboxylic acid CAS Name: (2R)-7-[3-(2-chloro-4-ethoxyphenoxy)propoxy]-2-methyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: (2R)-7-[3-(2-chloro-4-ethoxyphenoxy)propoxy]-2-methyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: (2R)-7-[3-(2-chloro-4-ethoxy-phenoxy)propoxy]-2-methyl-chroman-2-carboxylic acid Formula: C22H25ClO6 MolecularWeight: 420.8833

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCCCOC2=CC3=C(CCC(O3)(C)C(=O)O)C=C2)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCCCOC2=CC3=C(CC[C@](O3)(C)C(=O)O)C=C2)Cl

InChI

InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1