3-(2-azanylpropanoylamino)-1-cyclopropyl-6,8-bis(fluoranyl)-2-pyrrolidin-1-yl-4H-quinoline-4-carboxylic acid

Systemtic Name: 3-(2-azanylpropanoylamino)-1-cyclopropyl-6,8-bis(fluoranyl)-2-pyrrolidin-1-yl-4H-quinoline-4-carboxylic acid Openeye Name: 3-(2-aminopropanoylamino)-1-cyclopropyl-6,8-difluoro-2-pyrrolidin-1-yl-4H-quinoline-4-carboxylic acid CAS Name: 3-[(2-amino-1-oxopropyl)amino]-1-cyclopropyl-6,8-difluoro-2-(1-pyrrolidinyl)-4H-quinoline-4-carboxylic acid IUPAC Name: 3-(2-aminopropanoylamino)-1-cyclopropyl-6,8-difluoro-2-pyrrolidin-1-yl-4H-quinoline-4-carboxylic acid Traditional Name: 3-(alanylamino)-1-cyclopropyl-6,8-difluoro-2-pyrrolidino-4H-quinoline-4-carboxylic acid Formula: C20H24F2N4O3 MolecularWeight: 406.426366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N(C2=C(C=C(C=C2C1C(=O)O)F)F)C3CC3)N4CCCC4)N

Isomeric SMILES

CC(C(=O)NC1=C(N(C2=C(C=C(C=C2C1C(=O)O)F)F)C3CC3)N4CCCC4)N

InChI

InChI=1S/C20H24F2N4O3/c1-10(23)18(27)24-16-15(20(28)29)13-8-11(21)9-14(22)17(13)26(12-4-5-12)19(16)25-6-2-3-7-25/h8-10,12,15H,2-7,23H2,1H3,(H,24,27)(H,28,29)