2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)vinyl]phenoxy]-N,N-diethyl-ethanamine CAS Name: 2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-[4-[1-cyclohexyl-2-(4-methoxyphenyl)vinyl]phenoxy]ethyl-diethyl-amine Formula: C33H45NO9 MolecularWeight: 599.7117

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)OC)C3CCCCC3.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)C3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C27H37NO2.C6H8O7/c1-4-28(5-2)19-20-30-26-17-13-24(14-18-26)27(23-9-7-6-8-10-23)21-22-11-15-25(29-3)16-12-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-18,21,23H,4-10,19-20H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)