methyl 4-[4-(1-benzofuran-2-ylmethylamino)-1,1-diethoxy-pentan-3-yl]benzoate

Systemtic Name: methyl 4-[4-(1-benzofuran-2-ylmethylamino)-1,1-diethoxy-pentan-3-yl]benzoate Openeye Name: methyl 4-[1-[1-(benzofuran-2-ylmethylamino)ethyl]-3,3-diethoxy-propyl]benzoate CAS Name: 4-[4-(2-benzofuranylmethylamino)-1,1-diethoxypentan-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1-benzofuran-2-ylmethylamino)-1,1-diethoxypentan-3-yl]benzoate Traditional Name: 4-[1-[1-(benzofuran-2-ylmethylamino)ethyl]-3,3-diethoxy-propyl]benzoic acid methyl ester Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C1=CC=C(C=C1)C(=O)OC)C(C)NCC2=CC3=CC=CC=C3O2)OCC

Isomeric SMILES

CCOC(CC(C1=CC=C(C=C1)C(=O)OC)C(C)NCC2=CC3=CC=CC=C3O2)OCC

InChI

InChI=1S/C26H33NO5/c1-5-30-25(31-6-2)16-23(19-11-13-20(14-12-19)26(28)29-4)18(3)27-17-22-15-21-9-7-8-10-24(21)32-22/h7-15,18,23,25,27H,5-6,16-17H2,1-4H3