2-oxidanylpropane-1,2,3-tricarboxylate; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-yl-ethanol

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-yl-ethanol Openeye Name: 1-(5-phenylisoxazol-3-yl)-2-(1-piperidyl)ethanol citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(5-phenyl-3-isoxazolyl)-2-(1-piperidinyl)ethanol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol Traditional Name: 1-(5-phenylisoxazol-3-yl)-2-piperidino-ethanol citrate Formula: C38H45N4O11-3 MolecularWeight: 733.7841

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/2C16H20N2O2.C6H8O7/c2*19-15(12-18-9-5-2-6-10-18)14-11-16(20-17-14)13-7-3-1-4-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*1,3-4,7-8,11,15,19H,2,5-6,9-10,12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3