ethyl 3-azanyl-3-(2-bromanyl-4-methyl-phenyl)propanoate hydrochloride

Systemtic Name: ethyl 3-azanyl-3-(2-bromanyl-4-methyl-phenyl)propanoate hydrochloride Openeye Name: ethyl 3-amino-3-(2-bromo-4-methyl-phenyl)propanoate hydrochloride CAS Name: 3-amino-3-(2-bromo-4-methylphenyl)propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-amino-3-(2-bromo-4-methylphenyl)propanoate hydrochloride Traditional Name: 3-amino-3-(2-bromo-4-methyl-phenyl)propionic acid ethyl ester hydrochloride Formula: C12H17BrClNO2 MolecularWeight: 322.62588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C=C(C=C1)C)Br)N.Cl

Isomeric SMILES

CCOC(=O)CC(C1=C(C=C(C=C1)C)Br)N.Cl

InChI

InChI=1S/C12H16BrNO2.ClH/c1-3-16-12(15)7-11(14)9-5-4-8(2)6-10(9)13;/h4-6,11H,3,7,14H2,1-2H3;1H