(E)-3-(7-ethoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(7-ethoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(7-ethoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(7-ethoxy-2,2-dimethyl-4-propan-2-yl-1-benzopyran-6-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(7-ethoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(7-ethoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid Formula: C20H25FO4 MolecularWeight: 348.408503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)OC(C=C2C(C)C)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)OC(C=C2C(C)C)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C20H25FO4/c1-7-24-16-9-17-14(8-13(16)12(4)18(21)19(22)23)15(11(2)3)10-20(5,6)25-17/h8-11H,7H2,1-6H3,(H,22,23)/b18-12+