ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)-2-oxidanyl-propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)-2-oxidanyl-propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(dibutylamino)-2-hydroxy-propyl]benzoyl]benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)-2-hydroxypropyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)-2-hydroxypropyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)-2-hydroxy-propyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester; oxalic acid Formula: C36H49NO9 MolecularWeight: 639.77556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CC(CN(CCCC)CCCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CC(CN(CCCC)CCCC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C34H47NO5.C2H2O4/c1-6-9-12-31-32(29-22-27(17-18-30(29)40-31)34(38)39-24(4)5)33(37)26-15-13-25(14-16-26)21-28(36)23-35(19-10-7-2)20-11-8-3;3-1(4)2(5)6/h13-18,22,24,28,36H,6-12,19-21,23H2,1-5H3;(H,3,4)(H,5,6)