3-[(3,5-dimethylphenyl)-(furan-2-ylcarbonyl)amino]propanoic acid

Systemtic Name: 3-[(3,5-dimethylphenyl)-(furan-2-ylcarbonyl)amino]propanoic acid Openeye Name: 3-[N-(furan-2-carbonyl)-3,5-dimethyl-anilino]propanoic acid CAS Name: 3-(N-[2-furanyl(oxo)methyl]-3,5-dimethylanilino)propanoic acid IUPAC Name: 3-[N-(furan-2-carbonyl)-3,5-dimethylanilino]propanoic acid Traditional Name: 3-[N-(2-furoyl)-3,5-dimethyl-anilino]propionic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC(=O)O)C(=O)C2=CC=CO2)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC(=O)O)C(=O)C2=CC=CO2)C

InChI

InChI=1S/C16H17NO4/c1-11-8-12(2)10-13(9-11)17(6-5-15(18)19)16(20)14-4-3-7-21-14/h3-4,7-10H,5-6H2,1-2H3,(H,18,19)