CCOC(=O)c1cc(F)c(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1F

Nombre: ethyl 4-[(3S,4S)-3-(tert-butoxycarbonyl)amino-4-methylpyrrolidin-1-yl]-2,5-difluoro-3-methylbenzoate

IUPAC: ethyl 2,5-difluoro-3-methyl-4-[(3S,4S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]benzoate

SMILES: CCOC(=O)c1cc(F)c(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c(C)c1F

Canonical SMILES: CCOC(=O)C1=CC(=C(C(=C1F)C)N2CC(C(C2)NC(=O)OC(C)(C)C)C)F

Fórmula molecular: C20H28F2N2O4

Masa molecular: 398.40

InChIKey: PEMZDSINZCFBBD-XHDPSFHLSA-N

InChI:

InChI=1S/C20H28F2N2O4/c1-7-27-18(25)13-8-14(21)17(12(3)16(13)22)24-9-11(2)15(10-24)23-19(26)28-20(4,5)6/h8,11,15H,7,9-10H2,1-6H3,(H,23,26)/t11-,15+/m0/s1

PubChem CID: 86618515 →

Sinónimos

SCHEMBL2184090PEMZDSINZCFBBD-XHDPSFHLSA-NEthyl 4-[(3S,4S)-3-(tert-butoxycarbonyl)amino-4-methylpyrrolidin-1-yl]-2,5-difluoro-3-methylbenzoate

Participa en 3 reacciones→