2-[(5-bromanyl-2-propoxy-phenyl)methylamino]ethanoic acid

Systemtic Name: 2-[(5-bromanyl-2-propoxy-phenyl)methylamino]ethanoic acid Openeye Name: 2-[(5-bromo-2-propoxy-phenyl)methylamino]acetic acid CAS Name: 2-[(5-bromo-2-propoxyphenyl)methylamino]acetic acid IUPAC Name: 2-[(5-bromo-2-propoxyphenyl)methylamino]acetic acid Traditional Name: 2-[(5-bromo-2-propoxy-benzyl)amino]acetic acid Formula: C12H16BrNO3 MolecularWeight: 302.16434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CNCC(=O)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CNCC(=O)O

InChI

InChI=1S/C12H16BrNO3/c1-2-5-17-11-4-3-10(13)6-9(11)7-14-8-12(15)16/h3-4,6,14H,2,5,7-8H2,1H3,(H,15,16)