3-[4-[2-[(6-bromanylquinolin-8-yl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(6-bromanylquinolin-8-yl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(6-bromoquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(6-bromo-8-quinolinyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(6-bromoquinoline-8-carbonyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(6-bromoquinoline-8-carbonyl)amino]ethyl]phenyl]propionic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O3/c22-17-12-16-2-1-10-23-20(16)18(13-17)21(27)24-11-9-15-5-3-14(4-6-15)7-8-19(25)26/h1-6,10,12-13H,7-9,11H2,(H,24,27)(H,25,26)