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

Systemtic Name: [5-aminocarbonyl-5-chloranyl-4,6-bis(fluoranyl)-6-propyl-cyclohexa-1,3-dien-1-yl] 4-tert-butylbenzoate Openeye Name: (5-carbamoyl-5-chloro-4,6-difluoro-6-propyl-cyclohexa-1,3-dien-1-yl) 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (5-carbamoyl-5-chloro-4,6-difluoro-6-propyl-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (5-carbamoyl-5-chloro-4,6-difluoro-6-propylcyclohexa-1,3-dien-1-yl) 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (5-carbamoyl-5-chloro-4,6-difluoro-6-propyl-cyclohexa-1,3-dien-1-yl) ester Formula: C21H24ClF2NO3 MolecularWeight: 411.869966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClF2NO3/c1-5-12-20(24)16(11-10-15(23)21(20,22)18(25)27)28-17(26)13-6-8-14(9-7-13)19(2,3)4/h6-11H,5,12H2,1-4H3,(H2,25,27)