3-[(4-ethylphenyl)-pyridin-3-ylcarbonyl-amino]propanoic acid

Systemtic Name: 3-[(4-ethylphenyl)-pyridin-3-ylcarbonyl-amino]propanoic acid Openeye Name: 3-[4-ethyl-N-(pyridine-3-carbonyl)anilino]propanoic acid CAS Name: 3-(4-ethyl-N-[oxo(3-pyridinyl)methyl]anilino)propanoic acid IUPAC Name: 3-[4-ethyl-N-(pyridine-3-carbonyl)anilino]propanoic acid Traditional Name: 3-(4-ethyl-N-nicotinoyl-anilino)propionic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=CN=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)N(CCC(=O)O)C(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-2-13-5-7-15(8-6-13)19(11-9-16(20)21)17(22)14-4-3-10-18-12-14/h3-8,10,12H,2,9,11H2,1H3,(H,20,21)