3-[3-[(E)-2-azanylethenyl]-2,6-dimethyl-phenyl]propanoic acid

Systemtic Name: 3-[3-[(E)-2-azanylethenyl]-2,6-dimethyl-phenyl]propanoic acid Openeye Name: 3-[3-[(E)-2-aminovinyl]-2,6-dimethyl-phenyl]propanoic acid CAS Name: 3-[3-[(E)-2-aminoethenyl]-2,6-dimethylphenyl]propanoic acid IUPAC Name: 3-[3-[(E)-2-aminoethenyl]-2,6-dimethylphenyl]propanoic acid Traditional Name: 3-[3-[(E)-2-aminovinyl]-2,6-dimethyl-phenyl]propionic acid Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C=CN)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)/C=C/N)C)CCC(=O)O

InChI

InChI=1S/C13H17NO2/c1-9-3-4-11(7-8-14)10(2)12(9)5-6-13(15)16/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)/b8-7+