2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-phenyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-phenyl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-phenylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-phenyl-cinchoninic acid; triethylamine Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)CC4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)C2=CC=CC3=C(C(=C(N=C32)CC4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C23H16ClNO3.C6H15N/c24-16-11-9-14(10-12-16)13-19-22(26)20(23(27)28)18-8-4-7-17(21(18)25-19)15-5-2-1-3-6-15;1-4-7(5-2)6-3/h1-12,26H,13H2,(H,27,28);4-6H2,1-3H3