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

Systemtic Name: N,N-diethylethanamine; 7,8-dimethyl-2-[4-(4-methylphenyl)phenyl]-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[4-(p-tolyl)phenyl]quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[4-(4-methylphenyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[4-(4-methylphenyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-7,8-dimethyl-2-[4-(p-tolyl)phenyl]cinchoninic acid; triethylamine Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=CC(=C(C4=N3)C)C)C(=O)O)O

Isomeric SMILES

CCN(CC)CC.CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C4C=CC(=C(C4=N3)C)C)C(=O)O)O

InChI

InChI=1S/C25H21NO3.C6H15N/c1-14-4-7-17(8-5-14)18-9-11-19(12-10-18)23-24(27)21(25(28)29)20-13-6-15(2)16(3)22(20)26-23;1-4-7(5-2)6-3/h4-13,27H,1-3H3,(H,28,29);4-6H2,1-3H3