2-[6-chloranyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-quinolin-3-yl]-2-methoxy-ethanoic acid

Systemtic Name: 2-[6-chloranyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-quinolin-3-yl]-2-methoxy-ethanoic acid Openeye Name: 2-[6-chloro-4-(2,3-dihydrobenzofuran-5-yl)-2-methyl-3-quinolyl]-2-methoxy-acetic acid CAS Name: 2-[6-chloro-4-(2,3-dihydrobenzofuran-5-yl)-2-methyl-3-quinolinyl]-2-methoxyacetic acid IUPAC Name: 2-[6-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-2-methylquinolin-3-yl]-2-methoxyacetic acid Traditional Name: 2-(6-chloro-4-coumaran-5-yl-2-methyl-3-quinolyl)-2-methoxy-acetic acid Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC4=C(C=C3)OCC4)C(C(=O)O)OC

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Cl)C3=CC4=C(C=C3)OCC4)C(C(=O)O)OC

InChI

InChI=1S/C21H18ClNO4/c1-11-18(20(26-2)21(24)25)19(15-10-14(22)4-5-16(15)23-11)13-3-6-17-12(9-13)7-8-27-17/h3-6,9-10,20H,7-8H2,1-2H3,(H,24,25)