bis(fluoranyl)boranyl 7-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: bis(fluoranyl)boranyl 7-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 7-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-[(3S)-3-acetamido-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 7-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-[(3S)-3-acetamidopyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid difluoroboranyl ester Formula: C20H22BF2N3O4 MolecularWeight: 417.214186

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCC(C3)NC(=O)C)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CC[C@@H](C3)NC(=O)C)C4CC4)(F)F

InChI

InChI=1S/C20H22BF2N3O4/c1-11-17(25-8-7-13(9-25)24-12(2)27)6-5-15-18(11)26(14-3-4-14)10-16(19(15)28)20(29)30-21(22)23/h5-6,10,13-14H,3-4,7-9H2,1-2H3,(H,24,27)/t13-/m0/s1