2-oxidanylpropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide Openeye Name: citric acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(1-phenethyl-4-piperidinyl)-N-phenylpropanamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide Traditional Name: citric acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propionamide Formula: C28H36N2O8 MolecularWeight: 528.59404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)