N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-thiophen-3-yl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 2-(1H-indol-3-ylmethyl)-3-oxidanyl-8-thiophen-3-yl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(3-thienyl)quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(3-thiophenyl)-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-thiophen-3-ylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-(1H-indol-3-ylmethyl)-8-(3-thienyl)cinchoninic acid; triethylamine Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=CC=C(C4=N3)C5=CSC=C5)C(=O)O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C2C(=C1)C(=CN2)CC3=C(C(=C4C=CC=C(C4=N3)C5=CSC=C5)C(=O)O)O

InChI

InChI=1S/C23H16N2O3S.C6H15N/c26-22-19(10-14-11-24-18-7-2-1-4-15(14)18)25-21-16(13-8-9-29-12-13)5-3-6-17(21)20(22)23(27)28;1-4-7(5-2)6-3/h1-9,11-12,24,26H,10H2,(H,27,28);4-6H2,1-3H3