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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-thiophen-3-yl-quinoline-4-carboxylic acid; N,N-diethylethanamine Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(3-thienyl)quinoline-4-carboxylic acid; N,N-diethylethanamine CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(3-thiophenyl)-4-quinolinecarboxylic acid; N,N-diethylethanamine IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-thiophen-3-ylquinoline-4-carboxylic acid; N,N-diethylethanamine Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-(3-thienyl)cinchoninic acid; triethylamine Formula: C27H29ClN2O3S MolecularWeight: 497.04876

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC2=C(C(=C(N=C2C(=C1)C3=CSC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC2=C(C(=C(N=C2C(=C1)C3=CSC=C3)CC4=CC=C(C=C4)Cl)O)C(=O)O

InChI

InChI=1S/C21H14ClNO3S.C6H15N/c22-14-6-4-12(5-7-14)10-17-20(24)18(21(25)26)16-3-1-2-15(19(16)23-17)13-8-9-27-11-13;1-4-7(5-2)6-3/h1-9,11,24H,10H2,(H,25,26);4-6H2,1-3H3