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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: citric acid; 3-[2-[2-(1-piperidyl)ethoxy]phenyl]-1-(3-pyridyl)prop-2-en-1-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[2-[2-(1-piperidinyl)ethoxy]phenyl]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-[2-(2-piperidin-1-ylethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: citric acid; 3-[2-(2-piperidinoethoxy)phenyl]-1-(3-pyridyl)prop-2-en-1-one Formula: C27H32N2O9 MolecularWeight: 528.55098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=CC=C2C=CC(=O)C3=CN=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=CC=C2C=CC(=O)C3=CN=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O2.C6H8O7/c24-20(19-8-6-12-22-17-19)11-10-18-7-2-3-9-21(18)25-16-15-23-13-4-1-5-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-3,6-12,17H,1,4-5,13-16H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)