ethyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate

Systemtic Name: ethyl 3-[[(2S)-2-(7-chloranyl-1-oxidanylidene-isoquinolin-2-yl)butanoyl]amino]-5-fluoranyl-4-oxidanylidene-pentanoate Openeye Name: ethyl 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-oxo-pentanoate CAS Name: 3-[[(2S)-2-(7-chloro-1-oxo-2-isoquinolinyl)-1-oxobutyl]amino]-5-fluoro-4-oxopentanoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(7-chloro-1-oxoisoquinolin-2-yl)butanoyl]amino]-5-fluoro-4-oxopentanoate Traditional Name: 3-[[(2S)-2-(7-chloro-1-keto-2-isoquinolyl)butanoyl]amino]-5-fluoro-4-keto-valeric acid ethyl ester Formula: C20H22ClFN2O5 MolecularWeight: 424.850483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC(=O)OCC)C(=O)CF)N1C=CC2=C(C1=O)C=C(C=C2)Cl

Isomeric SMILES

CC[C@@H](C(=O)NC(CC(=O)OCC)C(=O)CF)N1C=CC2=C(C1=O)C=C(C=C2)Cl

InChI

InChI=1S/C20H22ClFN2O5/c1-3-16(19(27)23-15(17(25)11-22)10-18(26)29-4-2)24-8-7-12-5-6-13(21)9-14(12)20(24)28/h5-9,15-16H,3-4,10-11H2,1-2H3,(H,23,27)/t15?,16-/m0/s1