ethyl 4-[diethylamino(pyridin-3-yl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 4-[diethylamino(pyridin-3-yl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[diethylamino(3-pyridyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[diethylamino(3-pyridinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[diethylamino(pyridin-3-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[diethylamino(3-pyridyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=CN=CC=C1)C2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

Isomeric SMILES

CCN(CC)C(C1=CN=CC=C1)C2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

InChI

InChI=1S/C26H28N2O4/c1-5-28(6-2)23(17-11-10-14-27-15-17)22-21-20(26(30)31-7-3)16(4)32-25(21)19-13-9-8-12-18(19)24(22)29/h8-15,23,29H,5-7H2,1-4H3