3-[4-[2-(quinolin-8-ylcarbonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(quinolin-8-ylcarbonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-(quinoline-8-carbonylamino)ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[oxo(8-quinolinyl)methyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(quinoline-8-carbonylamino)ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(quinoline-8-carbonylamino)ethyl]phenyl]propionic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)N=CC=C2

InChI

InChI=1S/C21H20N2O3/c24-19(25)11-10-15-6-8-16(9-7-15)12-14-23-21(26)18-5-1-3-17-4-2-13-22-20(17)18/h1-9,13H,10-12,14H2,(H,23,26)(H,24,25)