5-(diethylamino)-2-methyl-1-phenyl-2-pyrrol-1-yl-pentane-1,3-dione; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 5-(diethylamino)-2-methyl-1-phenyl-2-pyrrol-1-yl-pentane-1,3-dione; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 5-(diethylamino)-2-methyl-1-phenyl-2-pyrrol-1-yl-pentane-1,3-dione CAS Name: 5-(diethylamino)-2-methyl-1-phenyl-2-(1-pyrrolyl)pentane-1,3-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 5-(diethylamino)-2-methyl-1-phenyl-2-pyrrol-1-ylpentane-1,3-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 5-(diethylamino)-2-methyl-1-phenyl-2-pyrrol-1-yl-pentane-1,3-dione Formula: C26H34N2O9 MolecularWeight: 518.55616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(=O)C(C)(C(=O)C1=CC=CC=C1)N2C=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCC(=O)C(C)(C(=O)C1=CC=CC=C1)N2C=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O2.C6H8O7/c1-4-21(5-2)16-13-18(23)20(3,22-14-9-10-15-22)19(24)17-11-7-6-8-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-12,14-15H,4-5,13,16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)