ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-6-methyl-5-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-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=CC(=C(C=C2O1)C)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=CC(=C(C=C2O1)C)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

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