N,N-diethylethanamine; 7,8-dimethyl-2-(4-morpholin-4-ylphenyl)-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 7,8-dimethyl-2-(4-morpholin-4-ylphenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-(4-morpholinophenyl)quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[4-(4-morpholinyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-(4-morpholin-4-ylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-7,8-dimethyl-2-(4-morpholinophenyl)cinchoninic acid; triethylamine Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C22H22N2O4.C6H15N/c1-13-3-8-17-18(22(26)27)21(25)20(23-19(17)14(13)2)15-4-6-16(7-5-15)24-9-11-28-12-10-24;1-4-7(5-2)6-3/h3-8,25H,9-12H2,1-2H3,(H,26,27);4-6H2,1-3H3