N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-8-methyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-8-methyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-methyl-cinchoninic acid; triethylamine Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC=CC2=C(C(=C(N=C12)CC3=CNC4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.CC1=CC=CC2=C(C(=C(N=C12)CC3=CNC4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C20H16N2O3.C6H15N/c1-11-5-4-7-14-17(20(24)25)19(23)16(22-18(11)14)9-12-10-21-15-8-3-2-6-13(12)15;1-4-7(5-2)6-3/h2-8,10,21,23H,9H2,1H3,(H,24,25);4-6H2,1-3H3