cyclohexyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-1-benzofuran-5-carboxylate; ethanedioic acid

Systemtic Name: cyclohexyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]phenyl]carbonyl-1-benzofuran-5-carboxylate; ethanedioic acid Openeye Name: cyclohexyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propoxy]phenyl]-oxomethyl]-5-benzofurancarboxylic acid cyclohexyl ester; oxalic acid IUPAC Name: cyclohexyl 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-carboxylic acid cyclohexyl ester; oxalic acid Formula: C39H53NO9 MolecularWeight: 679.83942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC3CCCCC3)C(=O)C4=CC=C(C=C4)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC3CCCCC3)C(=O)C4=CC=C(C=C4)OCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C37H51NO5.C2H2O4/c1-4-7-16-34-35(32-27-29(19-22-33(32)43-34)37(40)42-31-14-11-10-12-15-31)36(39)28-17-20-30(21-18-28)41-26-13-25-38(23-8-5-2)24-9-6-3;3-1(4)2(5)6/h17-22,27,31H,4-16,23-26H2,1-3H3;(H,3,4)(H,5,6)