ethyl 4-[[3,5-ditert-butyl-2-(methoxymethyl)phenyl]carbamoyl]-2-fluoranyl-benzoate

Systemtic Name: ethyl 4-[[3,5-ditert-butyl-2-(methoxymethyl)phenyl]carbamoyl]-2-fluoranyl-benzoate Openeye Name: ethyl 4-[[3,5-ditert-butyl-2-(methoxymethyl)phenyl]carbamoyl]-2-fluoro-benzoate CAS Name: 4-[[3,5-ditert-butyl-2-(methoxymethyl)anilino]-oxomethyl]-2-fluorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[3,5-ditert-butyl-2-(methoxymethyl)phenyl]carbamoyl]-2-fluorobenzoate Traditional Name: 4-[[3,5-ditert-butyl-2-(methoxymethyl)phenyl]carbamoyl]-2-fluoro-benzoic acid ethyl ester Formula: C26H34FNO4 MolecularWeight: 443.550863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2COC)C(C)(C)C)C(C)(C)C)F

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2COC)C(C)(C)C)C(C)(C)C)F

InChI

InChI=1S/C26H34FNO4/c1-9-32-24(30)18-11-10-16(12-21(18)27)23(29)28-22-14-17(25(2,3)4)13-20(26(5,6)7)19(22)15-31-8/h10-14H,9,15H2,1-8H3,(H,28,29)