N,N-diethylethanamine; 7,8-dimethyl-3-oxidanyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 7,8-dimethyl-3-oxidanyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-7,8-dimethyl-2-phenyl-cinchoninic acid; triethylamine Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=CC=C3)C

InChI

InChI=1S/C18H15NO3.C6H15N/c1-10-8-9-13-14(18(21)22)17(20)16(19-15(13)11(10)2)12-6-4-3-5-7-12;1-4-7(5-2)6-3/h3-9,20H,1-2H3,(H,21,22);4-6H2,1-3H3