(E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-ol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-ol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-ol citrate CAS Name: (E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-3-buten-2-ol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: (E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenylbut-3-en-2-ol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: (E)-3-[2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-ol citrate Formula: C28H34NO10-3 MolecularWeight: 544.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC=C1OC(=CC2=CC=CC=C2)C(C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(C)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C22H29NO3.C6H8O7/c1-4-23(5-2)15-16-25-20-13-9-10-14-21(20)26-22(18(3)24)17-19-11-7-6-8-12-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-14,17-18,24H,4-5,15-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b22-17+;