[5-aminocarbonyl-4,6-bis(fluoranyl)-5-oxidanyl-6-propyl-cyclohexa-1,3-dien-1-yl] 4-tert-butylbenzoate

Systemtic Name: [5-aminocarbonyl-4,6-bis(fluoranyl)-5-oxidanyl-6-propyl-cyclohexa-1,3-dien-1-yl] 4-tert-butylbenzoate Openeye Name: (5-carbamoyl-4,6-difluoro-5-hydroxy-6-propyl-cyclohexa-1,3-dien-1-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (5-carbamoyl-4,6-difluoro-5-hydroxy-6-propyl-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (5-carbamoyl-4,6-difluoro-5-hydroxy-6-propylcyclohexa-1,3-dien-1-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-carbamoyl-4,6-difluoro-5-hydroxy-6-propyl-cyclohexa-1,3-dien-1-yl) ester Formula: C21H25F2NO4 MolecularWeight: 393.424306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=CC=C(C1(C(=O)N)O)F)OC(=O)C2=CC=C(C=C2)C(C)(C)C)F

Isomeric SMILES

CCCC1(C(=CC=C(C1(C(=O)N)O)F)OC(=O)C2=CC=C(C=C2)C(C)(C)C)F

InChI

InChI=1S/C21H25F2NO4/c1-5-12-20(23)16(11-10-15(22)21(20,27)18(24)26)28-17(25)13-6-8-14(9-7-13)19(2,3)4/h6-11,27H,5,12H2,1-4H3,(H2,24,26)