2-(4-chlorophenyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine

Systemtic Name: 2-(4-chlorophenyl)-7-methyl-3-oxidanyl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-7-methyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-7-methyl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-7-methylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-7-methyl-cinchoninic acid; triethylamine Formula: C23H27ClN2O3 MolecularWeight: 414.92508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)CC.CC1=CC2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H12ClNO3.C6H15N/c1-9-2-7-12-13(8-9)19-15(16(20)14(12)17(21)22)10-3-5-11(18)6-4-10;1-4-7(5-2)6-3/h2-8,20H,1H3,(H,21,22);4-6H2,1-3H3