3-[(4-bromanyl-3-methyl-phenyl)-ethyl-amino]propanoic acid

Systemtic Name: 3-[(4-bromanyl-3-methyl-phenyl)-ethyl-amino]propanoic acid Openeye Name: 3-(4-bromo-N-ethyl-3-methyl-anilino)propanoic acid CAS Name: 3-(4-bromo-N-ethyl-3-methylanilino)propanoic acid IUPAC Name: 3-(4-bromo-N-ethyl-3-methylanilino)propanoic acid Traditional Name: 3-(4-bromo-N-ethyl-3-methyl-anilino)propionic acid Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)O)C1=CC(=C(C=C1)Br)C

Isomeric SMILES

CCN(CCC(=O)O)C1=CC(=C(C=C1)Br)C

InChI

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