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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-propan-2-yl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-isopropyl-quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-propan-2-yl-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-propan-2-ylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-isopropyl-cinchoninic acid; triethylamine Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.CC(C)C1=CC=CC2=C(C(=C(N=C21)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C20H18ClNO3.C6H15N/c1-11(2)14-4-3-5-15-17(20(24)25)19(23)16(22-18(14)15)10-12-6-8-13(21)9-7-12;1-4-7(5-2)6-3/h3-9,11,23H,10H2,1-2H3,(H,24,25);4-6H2,1-3H3