3-[4-[2-[(5-methoxyquinolin-8-yl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-methoxyquinolin-8-yl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-methoxyquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-methoxy-8-quinolinyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-methoxyquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-methoxyquinoline-8-carbonyl)amino]ethyl]phenyl]propionic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=CC=NC2=C(C=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=C2C=CC=NC2=C(C=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c1-28-19-10-9-18(21-17(19)3-2-13-23-21)22(27)24-14-12-16-6-4-15(5-7-16)8-11-20(25)26/h2-7,9-10,13H,8,11-12,14H2,1H3,(H,24,27)(H,25,26)