(2S)-2-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)pentanoic acid

Systemtic Name: (2S)-2-(6-chloranyl-2-methyl-4-phenyl-quinolin-3-yl)pentanoic acid Openeye Name: (2S)-2-(6-chloro-2-methyl-4-phenyl-3-quinolyl)pentanoic acid CAS Name: (2S)-2-(6-chloro-2-methyl-4-phenyl-3-quinolinyl)pentanoic acid IUPAC Name: (2S)-2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)pentanoic acid Traditional Name: (2S)-2-(6-chloro-2-methyl-4-phenyl-3-quinolyl)valeric acid Formula: C21H20ClNO2 MolecularWeight: 353.842

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C)C(=O)O

Isomeric SMILES

CCC[C@@H](C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C)C(=O)O

InChI

InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)/t16-/m0/s1