3-(4-methoxyphenyl)propyl 7-hex-1-ynyl-5-[3-oxidanylidene-3-(3-oxidanylpropylamino)-2-phenyl-propyl]-2-pentyl-1-benzofuran-3-carboxylate

Systemtic Name: 3-(4-methoxyphenyl)propyl 7-hex-1-ynyl-5-[3-oxidanylidene-3-(3-oxidanylpropylamino)-2-phenyl-propyl]-2-pentyl-1-benzofuran-3-carboxylate Openeye Name: 3-(4-methoxyphenyl)propyl 7-hex-1-ynyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenyl-propyl]-2-pentyl-benzofuran-3-carboxylate CAS Name: 7-hex-1-ynyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenylpropyl]-2-pentyl-3-benzofurancarboxylic acid 3-(4-methoxyphenyl)propyl ester IUPAC Name: 3-(4-methoxyphenyl)propyl 7-hex-1-ynyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenylpropyl]-2-pentyl-1-benzofuran-3-carboxylate Traditional Name: 2-amyl-7-hex-1-ynyl-5-[3-(3-hydroxypropylamino)-3-keto-2-phenyl-propyl]benzofuran-3-carboxylic acid 3-(4-methoxyphenyl)propyl ester Formula: C42H51NO6 MolecularWeight: 665.85744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(O1)C(=CC(=C2)CC(C3=CC=CC=C3)C(=O)NCCCO)C#CCCCC)C(=O)OCCCC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCC1=C(C2=C(O1)C(=CC(=C2)CC(C3=CC=CC=C3)C(=O)NCCCO)C#CCCCC)C(=O)OCCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C42H51NO6/c1-4-6-8-11-19-34-28-32(29-36(33-17-12-9-13-18-33)41(45)43-25-15-26-44)30-37-39(38(49-40(34)37)20-10-7-5-2)42(46)48-27-14-16-31-21-23-35(47-3)24-22-31/h9,12-13,17-18,21-24,28,30,36,44H,4-8,10,14-16,20,25-27,29H2,1-3H3,(H,43,45)