3-azanyl-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)propanoic acid

Systemtic Name: 3-azanyl-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)propanoic acid Openeye Name: 3-amino-3-(3-bromo-5-methoxy-4-propoxy-phenyl)propanoic acid CAS Name: 3-amino-3-(3-bromo-5-methoxy-4-propoxyphenyl)propanoic acid IUPAC Name: 3-amino-3-(3-bromo-5-methoxy-4-propoxyphenyl)propanoic acid Traditional Name: 3-amino-3-(3-bromo-5-methoxy-4-propoxy-phenyl)propionic acid Formula: C13H18BrNO4 MolecularWeight: 332.19032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(CC(=O)O)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(CC(=O)O)N)OC

InChI

InChI=1S/C13H18BrNO4/c1-3-4-19-13-9(14)5-8(6-11(13)18-2)10(15)7-12(16)17/h5-6,10H,3-4,7,15H2,1-2H3,(H,16,17)