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

Systemtic Name: ethyl 2-(2-azanylethanoylamino)-3-(3-bromanyl-5-chloranyl-phenyl)propanoate hydrochloride Openeye Name: ethyl 2-[(2-aminoacetyl)amino]-3-(3-bromo-5-chloro-phenyl)propanoate hydrochloride CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(3-bromo-5-chlorophenyl)propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(2-aminoacetyl)amino]-3-(3-bromo-5-chlorophenyl)propanoate hydrochloride Traditional Name: 3-(3-bromo-5-chloro-phenyl)-2-(glycylamino)propionic acid ethyl ester hydrochloride Formula: C13H17BrCl2N2O3 MolecularWeight: 400.09568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC(=C1)Br)Cl)NC(=O)CN.Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC(=C1)Br)Cl)NC(=O)CN.Cl

InChI

InChI=1S/C13H16BrClN2O3.ClH/c1-2-20-13(19)11(17-12(18)7-16)5-8-3-9(14)6-10(15)4-8;/h3-4,6,11H,2,5,7,16H2,1H3,(H,17,18);1H