(E)-3-(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid

Systemtic Name: (E)-3-(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-2-fluoranyl-but-2-enoic acid Openeye Name: (E)-2-fluoro-3-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)but-2-enoic acid CAS Name: (E)-3-(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-2-fluoro-2-butenoic acid IUPAC Name: (E)-3-(5,5-dimethyl-8-propan-2-yl-3-propoxy-6H-naphthalen-2-yl)-2-fluorobut-2-enoic acid Traditional Name: (E)-2-fluoro-3-(8-isopropyl-5,5-dimethyl-3-propoxy-6H-naphthalen-2-yl)but-2-enoic acid Formula: C22H29FO3 MolecularWeight: 360.462263

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)C(=C(C(=O)O)F)C

Isomeric SMILES

CCCOC1=C(C=C2C(=CCC(C2=C1)(C)C)C(C)C)/C(=C(\C(=O)O)/F)/C

InChI

InChI=1S/C22H29FO3/c1-7-10-26-19-12-18-17(11-16(19)14(4)20(23)21(24)25)15(13(2)3)8-9-22(18,5)6/h8,11-13H,7,9-10H2,1-6H3,(H,24,25)/b20-14+