1-[1-(1-dodecyl-4-oxidanylidene-quinazolin-2-yl)-2-oxidanylidene-2-[(2-tetradecoxyphenyl)amino]ethyl]imidazole-4,5-dicarboxylic acid

Systemtic Name: 1-[1-(1-dodecyl-4-oxidanylidene-quinazolin-2-yl)-2-oxidanylidene-2-[(2-tetradecoxyphenyl)amino]ethyl]imidazole-4,5-dicarboxylic acid Openeye Name: 1-[1-(1-dodecyl-4-oxo-quinazolin-2-yl)-2-oxo-2-(2-tetradecoxyanilino)ethyl]imidazole-4,5-dicarboxylic acid CAS Name: 1-[1-(1-dodecyl-4-oxo-2-quinazolinyl)-2-oxo-2-(2-tetradecoxyanilino)ethyl]imidazole-4,5-dicarboxylic acid IUPAC Name: 1-[1-(1-dodecyl-4-oxoquinazolin-2-yl)-2-oxo-2-(2-tetradecoxyanilino)ethyl]imidazole-4,5-dicarboxylic acid Traditional Name: 1-[2-keto-1-(4-keto-1-lauryl-quinazolin-2-yl)-2-(2-myristyloxyanilino)ethyl]imidazole-4,5-dicarboxylic acid Formula: C47H67N5O7 MolecularWeight: 814.06418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C(C2=NC(=O)C3=CC=CC=C3N2CCCCCCCCCCCC)N4C=NC(=C4C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC=C1NC(=O)C(C2=NC(=O)C3=CC=CC=C3N2CCCCCCCCCCCC)N4C=NC(=C4C(=O)O)C(=O)O

InChI

InChI=1S/C47H67N5O7/c1-3-5-7-9-11-13-15-16-18-20-22-28-34-59-39-32-26-24-30-37(39)49-45(54)42(52-35-48-40(46(55)56)41(52)47(57)58)43-50-44(53)36-29-23-25-31-38(36)51(43)33-27-21-19-17-14-12-10-8-6-4-2/h23-26,29-32,35,42H,3-22,27-28,33-34H2,1-2H3,(H,49,54)(H,55,56)(H,57,58)