ethyl 3-(2-azanylethanoylamino)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate

Systemtic Name: ethyl 3-(2-azanylethanoylamino)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate Openeye Name: ethyl 3-[(2-aminoacetyl)amino]-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoate CAS Name: 3-[(2-amino-1-oxoethyl)amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2-aminoacetyl)amino]-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoate Traditional Name: 3-(3-bromo-5-chloro-2-hydroxy-phenyl)-3-(glycylamino)propionic acid ethyl ester Formula: C13H16BrClN2O4 MolecularWeight: 379.63414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)NC(=O)CN

Isomeric SMILES

CCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)NC(=O)CN

InChI

InChI=1S/C13H16BrClN2O4/c1-2-21-12(19)5-10(17-11(18)6-16)8-3-7(15)4-9(14)13(8)20/h3-4,10,20H,2,5-6,16H2,1H3,(H,17,18)