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

Systemtic Name: bis(fluoranyl)boranyl 1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: difluoroboranyl 1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidyl]-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-[3-(hydroxymethyl)-1-piperidinyl]-8-methyl-4-oxo-3-quinolinecarboxylic acid difluoroboranyl ester IUPAC Name: difluoroboranyl 1-cyclopropyl-7-[3-(hydroxymethyl)piperidin-1-yl]-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-4-keto-8-methyl-7-(3-methylolpiperidino)quinoline-3-carboxylic acid difluoroboranyl ester Formula: C20H23BF2N2O4 MolecularWeight: 404.215426

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Descriptors Computed from Structure

Canonical SMILES:

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCCC(C3)CO)C4CC4)(F)F

Isomeric SMILES

B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)N3CCCC(C3)CO)C4CC4)(F)F

InChI

InChI=1S/C20H23BF2N2O4/c1-12-17(24-8-2-3-13(9-24)11-26)7-6-15-18(12)25(14-4-5-14)10-16(19(15)27)20(28)29-21(22)23/h6-7,10,13-14,26H,2-5,8-9,11H2,1H3