[3-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-oxidanyl-propyl] 4-tert-butylbenzoate

Systemtic Name: [3-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-oxidanyl-propyl] 4-tert-butylbenzoate Openeye Name: [3-[(2,6-difluorobenzoyl)amino]-3-hydroxy-propyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-hydroxypropyl] ester IUPAC Name: [3-[(2,6-difluorobenzoyl)amino]-3-hydroxypropyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[(2,6-difluorobenzoyl)amino]-3-hydroxy-propyl] ester Formula: C21H23F2NO4 MolecularWeight: 391.408426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCC(NC(=O)C2=C(C=CC=C2F)F)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCC(NC(=O)C2=C(C=CC=C2F)F)O

InChI

InChI=1S/C21H23F2NO4/c1-21(2,3)14-9-7-13(8-10-14)20(27)28-12-11-17(25)24-19(26)18-15(22)5-4-6-16(18)23/h4-10,17,25H,11-12H2,1-3H3,(H,24,26)