2-[4-(diethylamino)phenyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-[4-(diethylamino)phenyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[4-(diethylamino)phenyl]-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[4-(diethylamino)phenyl]-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[4-(diethylamino)phenyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-[4-(diethylamino)phenyl]-3-hydroxy-7,8-dimethyl-cinchoninic acid; triethylamine Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCN(CC)C1=CC=C(C=C1)C2=C(C(=C3C=CC(=C(C3=N2)C)C)C(=O)O)O

Isomeric SMILES

CCN(CC)CC.CCN(CC)C1=CC=C(C=C1)C2=C(C(=C3C=CC(=C(C3=N2)C)C)C(=O)O)O

InChI

InChI=1S/C22H24N2O3.C6H15N/c1-5-24(6-2)16-10-8-15(9-11-16)20-21(25)18(22(26)27)17-12-7-13(3)14(4)19(17)23-20;1-4-7(5-2)6-3/h7-12,25H,5-6H2,1-4H3,(H,26,27);4-6H2,1-3H3