2-[2-(acetyloxymethyl)-5-chloranyl-3-(7-chloranylquinolin-4-yl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(acetyloxymethyl)-5-chloranyl-3-(7-chloranylquinolin-4-yl)indol-1-yl]ethanoic acid Openeye Name: 2-[2-(acetoxymethyl)-5-chloro-3-(7-chloro-4-quinolyl)indol-1-yl]acetic acid CAS Name: 2-[2-(acetyloxymethyl)-5-chloro-3-(7-chloro-4-quinolinyl)-1-indolyl]acetic acid IUPAC Name: 2-[2-(acetyloxymethyl)-5-chloro-3-(7-chloroquinolin-4-yl)indol-1-yl]acetic acid Traditional Name: 2-[2-(acetoxymethyl)-5-chloro-3-(7-chloro-4-quinolyl)indol-1-yl]acetic acid Formula: C22H16Cl2N2O4 MolecularWeight: 443.27944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CC(=O)OCC1=C(C2=C(N1CC(=O)O)C=CC(=C2)Cl)C3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C22H16Cl2N2O4/c1-12(27)30-11-20-22(16-6-7-25-18-9-14(24)2-4-15(16)18)17-8-13(23)3-5-19(17)26(20)10-21(28)29/h2-9H,10-11H2,1H3,(H,28,29)