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

Systemtic Name: 7-[3-[2-chloranyl-4-(2-methylpropyl)phenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Openeye Name: 7-[3-(2-chloro-4-isobutyl-phenoxy)propoxy]-2-ethyl-chromane-2-carboxylic acid CAS Name: 7-[3-[2-chloro-4-(2-methylpropyl)phenoxy]propoxy]-2-ethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 7-[3-[2-chloro-4-(2-methylpropyl)phenoxy]propoxy]-2-ethyl-3,4-dihydrochromene-2-carboxylic acid Traditional Name: 7-[3-(2-chloro-4-isobutyl-phenoxy)propoxy]-2-ethyl-chroman-2-carboxylic acid Formula: C25H31ClO5 MolecularWeight: 446.96364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)