ethyl 3-[7-[(3S)-3-azanylpyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[7-[(3S)-3-azanylpyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[7-[(3S)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl]-3-oxo-propanoate CAS Name: 3-[7-[(3S)-3-amino-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[7-[(3S)-3-aminopyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]-3-oxopropanoate Traditional Name: 3-[7-[(3S)-3-aminopyrrolidino]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl]-3-keto-propionic acid ethyl ester Formula: C21H23ClFN3O4 MolecularWeight: 435.876423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFN3O4/c1-2-30-17(28)8-16(27)14-10-26(12-3-4-12)19-13(21(14)29)7-15(23)20(18(19)22)25-6-5-11(24)9-25/h7,10-12H,2-6,8-9,24H2,1H3/t11-/m0/s1