N,N-diethylethanamine; 2-[4-(4-dimethylaminophenyl)phenyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 2-[4-(4-dimethylaminophenyl)phenyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 2-[4-(4-dimethylaminophenyl)phenyl]-3-hydroxy-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 2-[4-(4-dimethylaminophenyl)phenyl]-3-hydroxy-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 2-[4-(4-dimethylaminophenyl)phenyl]-3-hydroxy-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-[4-(4-dimethylaminophenyl)phenyl]-3-hydroxy-7,8-dimethyl-cinchoninic acid; triethylamine Formula: C32H39N3O3 MolecularWeight: 513.67036

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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=C(C=C3)C4=CC=C(C=C4)N(C)C)C

Isomeric SMILES

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C)C)C

InChI

InChI=1S/C26H24N2O3.C6H15N/c1-15-5-14-21-22(26(30)31)25(29)24(27-23(21)16(15)2)19-8-6-17(7-9-19)18-10-12-20(13-11-18)28(3)4;1-4-7(5-2)6-3/h5-14,29H,1-4H3,(H,30,31);4-6H2,1-3H3