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

Systemtic Name: ethanedioic acid; ethyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate Openeye Name: ethyl 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 ethyl ester; oxalic acid IUPAC Name: ethyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylic acid ethyl ester; oxalic acid Formula: C36H49NO8 MolecularWeight: 623.77616

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H47NO4.C2H2O4/c1-6-10-15-30-32(29-24-28(34(37)38-9-4)25(5)23-31(29)39-30)33(36)27-18-16-26(17-19-27)14-13-22-35(20-11-7-2)21-12-8-3;3-1(4)2(5)6/h16-19,23-24H,6-15,20-22H2,1-5H3;(H,3,4)(H,5,6)