pent-4-enyl 2-hexyl-7-oct-1-ynyl-5-[3-oxidanylidene-3-(3-oxidanylpropylamino)-2-phenyl-propyl]-1-benzofuran-3-carboxylate

Systemtic Name: pent-4-enyl 2-hexyl-7-oct-1-ynyl-5-[3-oxidanylidene-3-(3-oxidanylpropylamino)-2-phenyl-propyl]-1-benzofuran-3-carboxylate Openeye Name: pent-4-enyl 2-hexyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenyl-propyl]-7-oct-1-ynyl-benzofuran-3-carboxylate CAS Name: 2-hexyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenylpropyl]-7-oct-1-ynyl-3-benzofurancarboxylic acid pent-4-enyl ester IUPAC Name: pent-4-enyl 2-hexyl-5-[3-(3-hydroxypropylamino)-3-oxo-2-phenylpropyl]-7-oct-1-ynyl-1-benzofuran-3-carboxylate Traditional Name: 2-hexyl-5-[3-(3-hydroxypropylamino)-3-keto-2-phenyl-propyl]-7-oct-1-ynyl-benzofuran-3-carboxylic acid pent-4-enyl ester Formula: C40H53NO5 MolecularWeight: 627.85252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)OCCCC=C)CCCCCC)CC(C3=CC=CC=C3)C(=O)NCCCO

Isomeric SMILES

CCCCCCC#CC1=CC(=CC2=C1OC(=C2C(=O)OCCCC=C)CCCCCC)CC(C3=CC=CC=C3)C(=O)NCCCO

InChI

InChI=1S/C40H53NO5/c1-4-7-10-12-13-15-23-33-28-31(29-34(32-21-16-14-17-22-32)39(43)41-25-20-26-42)30-35-37(40(44)45-27-19-9-6-3)36(46-38(33)35)24-18-11-8-5-2/h6,14,16-17,21-22,28,30,34,42H,3-5,7-13,18-20,24-27,29H2,1-2H3,(H,41,43)