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

Systemtic Name: (4-methylcyclohexyl) 2-(3-cyanopropyl)-5-[3-(2-hydroxyethylamino)-3-oxidanylidene-propyl]-7-methoxy-1-benzofuran-3-carboxylate Openeye Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester IUPAC Name: (4-methylcyclohexyl) 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 (4-methylcyclohexyl) ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CCC(=O)NCCO)OC)CCCC#N

Isomeric SMILES

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CCC(=O)NCCO)OC)CCCC#N

InChI

InChI=1S/C26H34N2O6/c1-17-6-9-19(10-7-17)33-26(31)24-20-15-18(8-11-23(30)28-13-14-29)16-22(32-2)25(20)34-21(24)5-3-4-12-27/h15-17,19,29H,3-11,13-14H2,1-2H3,(H,28,30)