hex-5-enyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate

Systemtic Name: hex-5-enyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: hex-5-enyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxo-propyl]-7-methoxy-benzofuran-3-carboxylate CAS Name: 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxopropyl]-7-methoxy-3-benzofurancarboxylic acid hex-5-enyl ester IUPAC Name: hex-5-enyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxopropyl]-7-methoxy-1-benzofuran-3-carboxylate Traditional Name: 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-keto-propyl]-7-methoxy-benzofuran-3-carboxylic acid hex-5-enyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CCC(=O)NCCO)C(=C(O2)CCCC#N)C(=O)OCCCCC=C

Isomeric SMILES

COC1=C2C(=CC(=C1)CCC(=O)NCCO)C(=C(O2)CCCC#N)C(=O)OCCCCC=C

InChI

InChI=1S/C25H32N2O6/c1-3-4-5-8-15-32-25(30)23-19-16-18(10-11-22(29)27-13-14-28)17-21(31-2)24(19)33-20(23)9-6-7-12-26/h3,16-17,28H,1,4-11,13-15H2,2H3,(H,27,29)