3-[4-[2-[(6-bromanylquinolin-5-yl)carbonylamino]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(6-bromanylquinolin-5-yl)carbonylamino]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[(6-bromoquinoline-5-carbonyl)amino]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[[(6-bromo-5-quinolinyl)-oxomethyl]amino]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[(6-bromoquinoline-5-carbonyl)amino]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[(6-bromoquinoline-5-carbonyl)amino]ethyl]phenyl]propionic acid Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)Br)N=C1

Isomeric SMILES

C1=CC2=C(C=CC(=C2C(=O)NCCC3=CC=C(C=C3)CCC(=O)O)Br)N=C1

InChI

InChI=1S/C21H19BrN2O3/c22-17-8-9-18-16(2-1-12-23-18)20(17)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)