ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-7-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-1-benzofuran-7-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-7-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-7-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-7-carboxylate Traditional Name: 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-7-carboxylic acid isopropyl ester; oxalic acid Formula: C36H49NO8 MolecularWeight: 623.77616

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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)CCCN(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)CCCN(CCCC)CCCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C34H47NO4.C2H2O4/c1-6-9-17-30-31(28-15-12-16-29(33(28)39-30)34(37)38-25(4)5)32(36)27-20-18-26(19-21-27)14-13-24-35(22-10-7-2)23-11-8-3;3-1(4)2(5)6/h12,15-16,18-21,25H,6-11,13-14,17,22-24H2,1-5H3;(H,3,4)(H,5,6)