4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; [3-(dimethylamino)-1-methyl-propyl] 2,2-diphenylpropanoate CAS Name: 2,2-diphenylpropanoic acid 4-(dimethylamino)butan-2-yl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 4-(dimethylamino)butan-2-yl 2,2-diphenylpropanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2,2-diphenylpropionic acid [3-(dimethylamino)-1-methyl-propyl] ester Formula: C27H35NO9 MolecularWeight: 517.5681

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C)OC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(CCN(C)C)OC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H27NO2.C6H8O7/c1-17(15-16-22(3)4)24-20(23)21(2,18-11-7-5-8-12-18)19-13-9-6-10-14-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-14,17H,15-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)