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

Systemtic Name: N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-isopropyl-cinchoninic acid; triethylamine Formula: C28H35N3O3 MolecularWeight: 461.5958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CNC4=CC=CC=C43)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CNC4=CC=CC=C43)O)C(=O)O

InChI

InChI=1S/C22H20N2O3.C6H15N/c1-12(2)14-7-5-8-16-19(22(26)27)21(25)18(24-20(14)16)10-13-11-23-17-9-4-3-6-15(13)17;1-4-7(5-2)6-3/h3-9,11-12,23,25H,10H2,1-2H3,(H,26,27);4-6H2,1-3H3