3-[4-(2-dimethylaminoethyloxy)phenyl]-1-pyridin-4-yl-prop-2-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[4-(2-dimethylaminoethyloxy)phenyl]-1-pyridin-4-yl-prop-2-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-[4-(2-dimethylaminoethyloxy)phenyl]-1-(4-pyridyl)prop-2-en-1-one CAS Name: 3-[4-(2-dimethylaminoethyloxy)phenyl]-1-pyridin-4-yl-2-propen-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[4-(2-dimethylaminoethyloxy)phenyl]-1-pyridin-4-ylprop-2-en-1-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 3-[4-(2-dimethylaminoethyloxy)phenyl]-1-(4-pyridyl)prop-2-en-1-one Formula: C24H28N2O9 MolecularWeight: 488.48712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=NC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O2.C6H8O7/c1-20(2)13-14-22-17-6-3-15(4-7-17)5-8-18(21)16-9-11-19-12-10-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)