3-[(3-ethynylphenyl)amino]butanoic acid

Systemtic Name: 3-[(3-ethynylphenyl)amino]butanoic acid Openeye Name: 3-(3-ethynylanilino)butanoic acid CAS Name: 3-(3-ethynylanilino)butanoic acid IUPAC Name: 3-(3-ethynylanilino)butanoic acid Traditional Name: 3-(3-ethynylanilino)butyric acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC1=CC=CC(=C1)C#C

Isomeric SMILES

CC(CC(=O)O)NC1=CC=CC(=C1)C#C

InChI

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