1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol citrate CAS Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenylethanol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenylethanol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-[4-(2-diethylaminoethyloxy)phenyl]-2-(4-methoxyphenyl)-1-phenyl-ethanol citrate Formula: C33H38NO10-3 MolecularWeight: 608.65552

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C27H33NO3.C6H8O7/c1-4-28(5-2)19-20-31-26-17-13-24(14-18-26)27(29,23-9-7-6-8-10-23)21-22-11-15-25(30-3)16-12-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-18,29H,4-5,19-21H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3