ethyl (3S)-3-[[3-chloranyl-5-iodanyl-2-(methylamino)phenyl]carbonylamino]butanoate

Systemtic Name: ethyl (3S)-3-[[3-chloranyl-5-iodanyl-2-(methylamino)phenyl]carbonylamino]butanoate Openeye Name: ethyl (3S)-3-[[3-chloro-5-iodo-2-(methylamino)benzoyl]amino]butanoate CAS Name: (3S)-3-[[[3-chloro-5-iodo-2-(methylamino)phenyl]-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl (3S)-3-[[3-chloro-5-iodo-2-(methylamino)benzoyl]amino]butanoate Traditional Name: (3S)-3-[[3-chloro-5-iodo-2-(methylamino)benzoyl]amino]butyric acid ethyl ester Formula: C14H18ClIN2O3 MolecularWeight: 424.66179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=O)C1=CC(=CC(=C1NC)Cl)I

Isomeric SMILES

CCOC(=O)C[C@H](C)NC(=O)C1=CC(=CC(=C1NC)Cl)I

InChI

InChI=1S/C14H18ClIN2O3/c1-4-21-12(19)5-8(2)18-14(20)10-6-9(16)7-11(15)13(10)17-3/h6-8,17H,4-5H2,1-3H3,(H,18,20)/t8-/m0/s1