propan-2-yl 3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-pentyl-1-benzofuran-5-carboxylate

Systemtic Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]phenyl]carbonyl-2-pentyl-1-benzofuran-5-carboxylate Openeye Name: isopropyl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-pentyl-benzofuran-5-carboxylate CAS Name: 3-[[4-[3-(dibutylamino)propyl]phenyl]-oxomethyl]-2-pentyl-5-benzofurancarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[4-[3-(dibutylamino)propyl]benzoyl]-2-pentyl-1-benzofuran-5-carboxylate Traditional Name: 2-amyl-3-[4-[3-(dibutylamino)propyl]benzoyl]benzofuran-5-carboxylic acid isopropyl ester Formula: C35H49NO4 MolecularWeight: 547.76786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

Isomeric SMILES

CCCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC

InChI

InChI=1S/C35H49NO4/c1-6-9-12-15-32-33(30-25-29(20-21-31(30)40-32)35(38)39-26(4)5)34(37)28-18-16-27(17-19-28)14-13-24-36(22-10-7-2)23-11-8-3/h16-21,25-26H,6-15,22-24H2,1-5H3