6-(4-oxidanylidene-4-phenyl-butyl)-1-piperazin-1-ylcarbonyl-3,4-dihydroquinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 6-(4-oxidanylidene-4-phenyl-butyl)-1-piperazin-1-ylcarbonyl-3,4-dihydroquinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 6-(4-oxo-4-phenyl-butyl)-1-(piperazine-1-carbonyl)-3,4-dihydroquinolin-2-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-(4-oxo-4-phenylbutyl)-1-[oxo(1-piperazinyl)methyl]-3,4-dihydroquinolin-2-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 6-(4-oxo-4-phenylbutyl)-1-(piperazine-1-carbonyl)-3,4-dihydroquinolin-2-one Traditional Name: citric acid; 6-(4-keto-4-phenyl-butyl)-1-(piperazine-1-carbonyl)-3,4-dihydrocarbostyril Formula: C30H35N3O10 MolecularWeight: 597.613

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C2=C1C=C(C=C2)CCCC(=O)C3=CC=CC=C3)C(=O)N4CCNCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)N(C2=C1C=C(C=C2)CCCC(=O)C3=CC=CC=C3)C(=O)N4CCNCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O3.C6H8O7/c28-22(19-6-2-1-3-7-19)8-4-5-18-9-11-21-20(17-18)10-12-23(29)27(21)24(30)26-15-13-25-14-16-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-3,6-7,9,11,17,25H,4-5,8,10,12-16H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)