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

Systemtic Name: ethyl 4-[diethylamino-(4-methylphenyl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[diethylamino(p-tolyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[diethylamino-(4-methylphenyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[diethylamino-(4-methylphenyl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[diethylamino(p-tolyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-6-29(7-2)25(19-15-13-17(4)14-16-19)24-23-22(28(31)32-8-3)18(5)33-27(23)21-12-10-9-11-20(21)26(24)30/h9-16,25,30H,6-8H2,1-5H3