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

Systemtic Name: ethanedioic acid; methyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate Openeye Name: methyl 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 methyl ester; oxalic acid IUPAC Name: methyl 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 methyl ester; oxalic acid Formula: C35H47NO8 MolecularWeight: 609.74958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H45NO4.C2H2O4/c1-6-9-14-29-31(28-23-27(33(36)37-5)24(4)22-30(28)38-29)32(35)26-17-15-25(16-18-26)13-12-21-34(19-10-7-2)20-11-8-3;3-1(4)2(5)6/h15-18,22-23H,6-14,19-21H2,1-5H3;(H,3,4)(H,5,6)