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

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[2-(dibutylamino)ethyl]phenyl]carbonyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[2-(dibutylamino)ethyl]phenyl]-oxomethyl]-5-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[2-(dibutylamino)ethyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester; oxalic acid Formula: C35H47NO8 MolecularWeight: 609.74958

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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)CCN(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)CCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C33H45NO4.C2H2O4/c1-6-9-12-30-31(28-23-27(17-18-29(28)38-30)33(36)37-24(4)5)32(35)26-15-13-25(14-16-26)19-22-34(20-10-7-2)21-11-8-3;3-1(4)2(5)6/h13-18,23-24H,6-12,19-22H2,1-5H3;(H,3,4)(H,5,6)