N,N-diethylethanamine; 3-oxidanyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 3-oxidanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-phenyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-phenyl-cinchoninic acid; triethylamine Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O

InChI

InChI=1S/C16H11NO3.C6H15N/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10;1-4-7(5-2)6-3/h1-9,18H,(H,19,20);4-6H2,1-3H3