2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-2-(2-methylbutan-2-yl)hex-5-enoic acid

Systemtic Name: 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-2-(2-methylbutan-2-yl)hex-5-enoic acid Openeye Name: 2-(4-chlorophenyl)-3-(2,3-dihydrobenzofuran-6-yl)-2-(1,1-dimethylpropyl)hex-5-enoic acid CAS Name: 2-(4-chlorophenyl)-3-(2,3-dihydrobenzofuran-6-yl)-2-(2-methylbutan-2-yl)-5-hexenoic acid IUPAC Name: 2-(4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-6-yl)-2-(2-methylbutan-2-yl)hex-5-enoic acid Traditional Name: 2-tert-amyl-2-(4-chlorophenyl)-3-coumaran-6-yl-hex-5-enoic acid Formula: C25H29ClO3 MolecularWeight: 412.94896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(C1=CC=C(C=C1)Cl)(C(CC=C)C2=CC3=C(CCO3)C=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C(C1=CC=C(C=C1)Cl)(C(CC=C)C2=CC3=C(CCO3)C=C2)C(=O)O

InChI

InChI=1S/C25H29ClO3/c1-5-7-21(18-9-8-17-14-15-29-22(17)16-18)25(23(27)28,24(3,4)6-2)19-10-12-20(26)13-11-19/h5,8-13,16,21H,1,6-7,14-15H2,2-4H3,(H,27,28)