propyl 3-azanyl-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate

Systemtic Name: propyl 3-azanyl-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)propanoate Openeye Name: propyl 3-amino-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propanoate CAS Name: 3-amino-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoic acid propyl ester IUPAC Name: propyl 3-amino-3-(3-bromo-5-chloro-2-hydroxyphenyl)propanoate Traditional Name: 3-amino-3-(3-bromo-5-chloro-2-hydroxy-phenyl)propionic acid propyl ester Formula: C12H15BrClNO3 MolecularWeight: 336.6094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)N

Isomeric SMILES

CCCOC(=O)CC(C1=CC(=CC(=C1O)Br)Cl)N

InChI

InChI=1S/C12H15BrClNO3/c1-2-3-18-11(16)6-10(15)8-4-7(14)5-9(13)12(8)17/h4-5,10,17H,2-3,6,15H2,1H3