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

Systemtic Name: ethanedioic acid; propan-2-yl 2-butyl-3-[4-[3-(butylamino)propyl]phenyl]carbonyl-6-methyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 2-butyl-3-[4-[3-(butylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylate; oxalic acid CAS Name: 2-butyl-3-[[4-[3-(butylamino)propyl]phenyl]-oxomethyl]-6-methyl-5-benzofurancarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 2-butyl-3-[4-[3-(butylamino)propyl]benzoyl]-6-methyl-1-benzofuran-5-carboxylate Traditional Name: 2-butyl-3-[4-[3-(butylamino)propyl]benzoyl]-6-methyl-benzofuran-5-carboxylic acid isopropyl ester; oxalic acid Formula: C33H43NO8 MolecularWeight: 581.69642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO4.C2H2O4/c1-6-8-12-27-29(26-20-25(31(34)35-21(3)4)22(5)19-28(26)36-27)30(33)24-15-13-23(14-16-24)11-10-18-32-17-9-7-2;3-1(4)2(5)6/h13-16,19-21,32H,6-12,17-18H2,1-5H3;(H,3,4)(H,5,6)