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

Systemtic Name: ethyl 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NCCO)OC)CCCC#N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C(C=C(C=C12)CCC(=O)NCCO)OC)CCCC#N

InChI

InChI=1S/C21H26N2O6/c1-3-28-21(26)19-15-12-14(7-8-18(25)23-10-11-24)13-17(27-2)20(15)29-16(19)6-4-5-9-22/h12-13,24H,3-8,10-11H2,1-2H3,(H,23,25)