N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-7-methyl-cinchoninic acid; triethylamine Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCN(CC)CC.CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)CC3=CNC4=CC=CC=C43

InChI

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