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

Systemtic Name: (E)-3-(7-butoxy-2,2-dimethyl-4-propan-2-yl-chromen-6-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-3-(7-butoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid CAS Name: (E)-3-(7-butoxy-2,2-dimethyl-4-propan-2-yl-1-benzopyran-6-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(7-butoxy-2,2-dimethyl-4-propan-2-ylchromen-6-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-3-(7-butoxy-4-isopropyl-2,2-dimethyl-chromen-6-yl)-2-fluoro-but-2-enoic acid Formula: C22H29FO4 MolecularWeight: 376.461663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)OC(C=C2C(C)C)(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)OC(C=C2C(C)C)(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C22H29FO4/c1-7-8-9-26-18-11-19-16(10-15(18)14(4)20(23)21(24)25)17(13(2)3)12-22(5,6)27-19/h10-13H,7-9H2,1-6H3,(H,24,25)/b20-14+