7-ethyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: 7-ethyl-2-(1H-indol-3-ylmethyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: 7-ethyl-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid CAS Name: 7-ethyl-3-hydroxy-2-(1H-indol-3-ylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 7-ethyl-3-hydroxy-2-(1H-indol-3-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 7-ethyl-3-hydroxy-2-(1H-indol-3-ylmethyl)cinchoninic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H18N2O3/c1-2-12-7-8-15-17(9-12)23-18(20(24)19(15)21(25)26)10-13-11-22-16-6-4-3-5-14(13)16/h3-9,11,22,24H,2,10H2,1H3,(H,25,26)