1-cyclopropyl-6,8-bis(fluoranyl)-7-[(2-methylpropylamino)methyl]-4-oxidanylidene-8,8a-dihydroquinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-[(2-methylpropylamino)methyl]-4-oxidanylidene-8,8a-dihydroquinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-[(isobutylamino)methyl]-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-[(2-methylpropylamino)methyl]-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-[(2-methylpropylamino)methyl]-4-oxo-8,8a-dihydroquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-7-[(isobutylamino)methyl]-4-keto-8,8a-dihydroquinoline-3-carboxylic acid Formula: C18H22F2N2O3 MolecularWeight: 352.375686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCC1=C(C=C2C(C1F)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CC(C)CNCC1=C(C=C2C(C1F)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C18H22F2N2O3/c1-9(2)6-21-7-12-14(19)5-11-16(15(12)20)22(10-3-4-10)8-13(17(11)23)18(24)25/h5,8-10,15-16,21H,3-4,6-7H2,1-2H3,(H,24,25)