dodecyl 3-[[2,6-di(propan-2-yl)phenyl]amino]-2-fluoranyl-3-oxidanylidene-propanoate

Systemtic Name: dodecyl 3-[[2,6-di(propan-2-yl)phenyl]amino]-2-fluoranyl-3-oxidanylidene-propanoate Openeye Name: dodecyl 3-(2,6-diisopropylanilino)-2-fluoro-3-oxo-propanoate CAS Name: 3-[2,6-di(propan-2-yl)anilino]-2-fluoro-3-oxopropanoic acid dodecyl ester IUPAC Name: dodecyl 3-[2,6-di(propan-2-yl)anilino]-2-fluoro-3-oxopropanoate Traditional Name: 3-(2,6-diisopropylanilino)-2-fluoro-3-keto-propionic acid lauryl ester Formula: C27H44FNO3 MolecularWeight: 449.641563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)F

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)F

InChI

InChI=1S/C27H44FNO3/c1-6-7-8-9-10-11-12-13-14-15-19-32-27(31)24(28)26(30)29-25-22(20(2)3)17-16-18-23(25)21(4)5/h16-18,20-21,24H,6-15,19H2,1-5H3,(H,29,30)