2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-(4-chlorophenyl)-6-(4-methoxyphenyl)-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-6-(4-methoxyphenyl)quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-6-(4-methoxyphenyl)-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-6-(4-methoxyphenyl)quinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-6-(4-methoxyphenyl)cinchoninic acid; triethylamine Formula: C29H31ClN2O4 MolecularWeight: 507.02044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.COC1=CC=C(C=C1)C2=CC3=C(C(=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.COC1=CC=C(C=C1)C2=CC3=C(C(=C(N=C3C=C2)C4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H16ClNO4.C6H15N/c1-29-17-9-4-13(5-10-17)15-6-11-19-18(12-15)20(23(27)28)22(26)21(25-19)14-2-7-16(24)8-3-14;1-4-7(5-2)6-3/h2-12,26H,1H3,(H,27,28);4-6H2,1-3H3