2-[4-(prop-2-ynylamino)phenyl]propanoic acid

Systemtic Name: 2-[4-(prop-2-ynylamino)phenyl]propanoic acid Openeye Name: 2-[4-(prop-2-ynylamino)phenyl]propanoic acid CAS Name: 2-[4-(prop-2-ynylamino)phenyl]propanoic acid IUPAC Name: 2-[4-(prop-2-ynylamino)phenyl]propanoic acid Traditional Name: 2-[4-(propargylamino)phenyl]propionic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NCC#C)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NCC#C)C(=O)O

InChI

InChI=1S/C12H13NO2/c1-3-8-13-11-6-4-10(5-7-11)9(2)12(14)15/h1,4-7,9,13H,8H2,2H3,(H,14,15)