1-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]cyclohexan-1-ol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]cyclohexan-1-ol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]cyclohexanol citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-[3-[2-methoxy-5-(1-pyrrolidinylmethyl)phenoxy]prop-1-ynyl]-1-cyclohexanol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-[3-[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenoxy]prop-1-ynyl]cyclohexan-1-ol Traditional Name: 1-[3-[2-methoxy-5-(pyrrolidinomethyl)phenoxy]prop-1-ynyl]cyclohexanol citrate Formula: C27H34NO10-3 MolecularWeight: 532.55956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCCCC3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCC2)OCC#CC3(CCCCC3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H29NO3.C6H8O7/c1-24-19-9-8-18(17-22-13-5-6-14-22)16-20(19)25-15-7-12-21(23)10-3-2-4-11-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,16,23H,2-6,10-11,13-15,17H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3