diethyl 2-[7-[(3S)-3-azanylpyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate

Systemtic Name: diethyl 2-[7-[(3S)-3-azanylpyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate Openeye Name: diethyl 2-[7-[(3S)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl]propanedioate CAS Name: 2-[[7-[(3S)-3-amino-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[7-[(3S)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedioate Traditional Name: 2-[7-[(3S)-3-aminopyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl]malonic acid diethyl ester Formula: C24H27ClFN3O6 MolecularWeight: 507.939083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCC(C3)N)Cl)C4CC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC[C@@H](C3)N)Cl)C4CC4)C(=O)OCC

InChI

InChI=1S/C24H27ClFN3O6/c1-3-34-23(32)17(24(33)35-4-2)22(31)15-11-29(13-5-6-13)19-14(21(15)30)9-16(26)20(18(19)25)28-8-7-12(27)10-28/h9,11-13,17H,3-8,10,27H2,1-2H3/t12-/m0/s1