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

Systemtic Name: 2-(4-chlorophenyl)-3-oxidanyl-6-propan-2-yl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-(4-chlorophenyl)-3-hydroxy-6-isopropyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-(4-chlorophenyl)-3-hydroxy-6-propan-2-yl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-(4-chlorophenyl)-3-hydroxy-6-propan-2-ylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorophenyl)-3-hydroxy-6-isopropyl-cinchoninic acid; triethylamine Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO3.C6H15N/c1-10(2)12-5-8-15-14(9-12)16(19(23)24)18(22)17(21-15)11-3-6-13(20)7-4-11;1-4-7(5-2)6-3/h3-10,22H,1-2H3,(H,23,24);4-6H2,1-3H3