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

Systemtic Name: ethyl 4-[diethylamino(phenyl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[diethylamino(phenyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[diethylamino(phenyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[diethylamino(phenyl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[diethylamino(phenyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4/c1-5-28(6-2)24(18-13-9-8-10-14-18)23-22-21(27(30)31-7-3)17(4)32-26(22)20-16-12-11-15-19(20)25(23)29/h8-16,24,29H,5-7H2,1-4H3