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

Systemtic Name: N,N-diethylethanamine; 7,8-dimethyl-2-(4-methylphenyl)-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-7,8-dimethyl-2-(p-tolyl)cinchoninic acid; triethylamine Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC=C(C=C1)C2=C(C(=C3C=CC(=C(C3=N2)C)C)C(=O)O)O

Isomeric SMILES

CCN(CC)CC.CC1=CC=C(C=C1)C2=C(C(=C3C=CC(=C(C3=N2)C)C)C(=O)O)O

InChI

InChI=1S/C19H17NO3.C6H15N/c1-10-4-7-13(8-5-10)17-18(21)15(19(22)23)14-9-6-11(2)12(3)16(14)20-17;1-4-7(5-2)6-3/h4-9,21H,1-3H3,(H,22,23);4-6H2,1-3H3