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

Systemtic Name: 3-[4-[2-[(5-chloranylquinolin-8-yl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-chloroquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(5-chloro-8-quinolinyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-chloroquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-chloroquinoline-8-carbonyl)amino]ethyl]phenyl]propionic acid Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)Cl

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)Cl

InChI

InChI=1S/C21H19ClN2O3/c22-18-9-8-17(20-16(18)2-1-12-23-20)21(27)24-13-11-15-5-3-14(4-6-15)7-10-19(25)26/h1-6,8-9,12H,7,10-11,13H2,(H,24,27)(H,25,26)