2-[butoxycarbonyl-(4-ethynylphenyl)amino]propanoic acid

Systemtic Name: 2-[butoxycarbonyl-(4-ethynylphenyl)amino]propanoic acid Openeye Name: 2-(N-butoxycarbonyl-4-ethynyl-anilino)propanoic acid CAS Name: 2-(N-[butoxy(oxo)methyl]-4-ethynylanilino)propanoic acid IUPAC Name: 2-(N-butoxycarbonyl-4-ethynylanilino)propanoic acid Traditional Name: 2-(N-butoxycarbonyl-4-ethynyl-anilino)propionic acid Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C1=CC=C(C=C1)C#C)C(C)C(=O)O

Isomeric SMILES

CCCCOC(=O)N(C1=CC=C(C=C1)C#C)C(C)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-4-6-11-21-16(20)17(12(3)15(18)19)14-9-7-13(5-2)8-10-14/h2,7-10,12H,4,6,11H2,1,3H3,(H,18,19)