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

Systemtic Name: ethanedioic acid; 2-methylpropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isobutyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid 2-methylpropyl ester; oxalic acid IUPAC Name: 2-methylpropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid isobutyl 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)OCC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OCC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C35H49NO4.C2H2O4/c1-6-9-14-32-33(30-24-29(19-20-31(30)40-32)35(38)39-25-26(4)5)34(37)28-17-15-27(16-18-28)13-12-23-36(21-10-7-2)22-11-8-3;3-1(4)2(5)6/h15-20,24,26H,6-14,21-23,25H2,1-5H3;(H,3,4)(H,5,6)