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

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[4-(dibutylamino)butyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[4-(dibutylamino)butyl]benzoyl]benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[4-(dibutylamino)butyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[4-(dibutylamino)butyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[4-(dibutylamino)butyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester; oxalic acid Formula: C37H51NO8 MolecularWeight: 637.80274

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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)CCCCN(CCCC)CCCC.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)CCCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C35H49NO4.C2H2O4/c1-6-9-15-32-33(30-25-29(20-21-31(30)40-32)35(38)39-26(4)5)34(37)28-18-16-27(17-19-28)14-12-13-24-36(22-10-7-2)23-11-8-3;3-1(4)2(5)6/h16-21,25-26H,6-15,22-24H2,1-5H3;(H,3,4)(H,5,6)