2-(4-methoxyphenyl)-1-phenyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-(4-methoxyphenyl)-1-phenyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(4-methoxyphenyl)-1-phenyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanol CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(4-methoxyphenyl)-1-phenyl-1-[4-[4-(1-pyrrolidinyl)butoxy]phenyl]ethanol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(4-methoxyphenyl)-1-phenyl-1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanol Traditional Name: citric acid; 2-(4-methoxyphenyl)-1-phenyl-1-[4-(4-pyrrolidinobutoxy)phenyl]ethanol Formula: C35H43NO10 MolecularWeight: 637.71662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=C(C=C3)OCCCCN4CCCC4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CC=CC=C2)(C3=CC=C(C=C3)OCCCCN4CCCC4)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C29H35NO3.C6H8O7/c1-32-27-15-11-24(12-16-27)23-29(31,25-9-3-2-4-10-25)26-13-17-28(18-14-26)33-22-8-7-21-30-19-5-6-20-30;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,9-18,31H,5-8,19-23H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)