3-[4-[2-(pyridin-3-ylcarbonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(pyridin-3-ylcarbonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(pyridine-3-carbonylamino)ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(pyridine-3-carbonylamino)ethyl]phenyl]propanoic acid Traditional Name: 3-[4-(2-nicotinamidoethyl)phenyl]propionic acid Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C17H18N2O3/c20-16(21)8-7-13-3-5-14(6-4-13)9-11-19-17(22)15-2-1-10-18-12-15/h1-6,10,12H,7-9,11H2,(H,19,22)(H,20,21)