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

Systemtic Name: N,N-diethylethanamine; 2-[4-(4-methoxyphenyl)phenyl]-7,8-dimethyl-3-oxidanyl-quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-2-[4-(4-methoxyphenyl)phenyl]-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-2-[4-(4-methoxyphenyl)phenyl]-7,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-2-[4-(4-methoxyphenyl)phenyl]-7,8-dimethylquinoline-4-carboxylic acid Traditional Name: 3-hydroxy-2-[4-(4-methoxyphenyl)phenyl]-7,8-dimethyl-cinchoninic acid; triethylamine Formula: C31H36N2O4 MolecularWeight: 500.62854

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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)OC)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)OC)C

InChI

InChI=1S/C25H21NO4.C6H15N/c1-14-4-13-20-21(25(28)29)24(27)23(26-22(20)15(14)2)18-7-5-16(6-8-18)17-9-11-19(30-3)12-10-17;1-4-7(5-2)6-3/h4-13,27H,1-3H3,(H,28,29);4-6H2,1-3H3