2-(6-chloranyl-1H-indol-3-yl)-3-(3-ethoxy-4-ethyl-pyridin-2-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(6-chloranyl-1H-indol-3-yl)-3-(3-ethoxy-4-ethyl-pyridin-2-yl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(6-chloro-1H-indol-3-yl)-3-(3-ethoxy-4-ethyl-2-pyridyl)-3-oxo-propanoic acid CAS Name: 2-(6-chloro-1H-indol-3-yl)-3-(3-ethoxy-4-ethyl-2-pyridinyl)-3-oxopropanoic acid IUPAC Name: 2-(6-chloro-1H-indol-3-yl)-3-(3-ethoxy-4-ethylpyridin-2-yl)-3-oxopropanoic acid Traditional Name: 2-(6-chloro-1H-indol-3-yl)-3-(3-ethoxy-4-ethyl-2-pyridyl)-3-keto-propionic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=C1)C(=O)C(C2=CNC3=C2C=CC(=C3)Cl)C(=O)O)OCC

Isomeric SMILES

CCC1=C(C(=NC=C1)C(=O)C(C2=CNC3=C2C=CC(=C3)Cl)C(=O)O)OCC

InChI

InChI=1S/C20H19ClN2O4/c1-3-11-7-8-22-17(19(11)27-4-2)18(24)16(20(25)26)14-10-23-15-9-12(21)5-6-13(14)15/h5-10,16,23H,3-4H2,1-2H3,(H,25,26)