(2S)-2-[6-chloranyl-4-(4-ethylphenyl)-2-methyl-quinolin-3-yl]-2-ethoxy-ethanoic acid

Systemtic Name: (2S)-2-[6-chloranyl-4-(4-ethylphenyl)-2-methyl-quinolin-3-yl]-2-ethoxy-ethanoic acid Openeye Name: (2S)-2-[6-chloro-4-(4-ethylphenyl)-2-methyl-3-quinolyl]-2-ethoxy-acetic acid CAS Name: (2S)-2-[6-chloro-4-(4-ethylphenyl)-2-methyl-3-quinolinyl]-2-ethoxyacetic acid IUPAC Name: (2S)-2-[6-chloro-4-(4-ethylphenyl)-2-methylquinolin-3-yl]-2-ethoxyacetic acid Traditional Name: (2S)-2-[6-chloro-4-(4-ethylphenyl)-2-methyl-3-quinolyl]-2-ethoxy-acetic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2C(C(=O)O)OCC)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=C2[C@@H](C(=O)O)OCC)C)Cl

InChI

InChI=1S/C22H22ClNO3/c1-4-14-6-8-15(9-7-14)20-17-12-16(23)10-11-18(17)24-13(3)19(20)21(22(25)26)27-5-2/h6-12,21H,4-5H2,1-3H3,(H,25,26)/t21-/m0/s1