ethyl 2-azanyl-3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-azanyl-3-[7-(3-azanylpyrrolidin-1-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-amino-3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl]-3-oxo-propanoate CAS Name: 2-amino-3-[7-(3-amino-1-pyrrolidinyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]-3-oxopropanoate Traditional Name: 2-amino-3-[7-(3-aminopyrrolidino)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl]-3-keto-propionic acid ethyl ester Formula: C21H24ClFN4O4 MolecularWeight: 450.891063

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClFN4O4/c1-2-31-21(30)16(25)20(29)13-9-27(11-3-4-11)17-12(19(13)28)7-14(23)18(15(17)22)26-6-5-10(24)8-26/h7,9-11,16H,2-6,8,24-25H2,1H3