(E)-3-(4-ethoxyphenoxy)-4-phenyl-but-3-en-2-one; N-ethylethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (E)-3-(4-ethoxyphenoxy)-4-phenyl-but-3-en-2-one; N-ethylethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (E)-3-(4-ethoxyphenoxy)-4-phenyl-but-3-en-2-one; N-ethylethanamine; citrate CAS Name: (E)-3-(4-ethoxyphenoxy)-4-phenyl-3-buten-2-one; N-ethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: (E)-3-(4-ethoxyphenoxy)-4-phenylbut-3-en-2-one; N-ethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: diethylamine; (E)-3-(4-ethoxyphenoxy)-4-phenyl-but-3-en-2-one; citrate Formula: C28H34NO10-3 MolecularWeight: 544.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNCC.CCOC1=CC=C(C=C1)O/C(=C/C2=CC=CC=C2)/C(=O)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C18H18O3.C6H8O7.C4H11N/c1-3-20-16-9-11-17(12-10-16)21-18(14(2)19)13-15-7-5-4-6-8-15;7-3(8)1-6(13,5(11)12)2-4(9)10;1-3-5-4-2/h4-13H,3H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5H,3-4H2,1-2H3/p-3/b18-13+;;