ethyl 4-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 4-[[bis(2-hydroxyethyl)amino]methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[[bis(2-hydroxyethyl)amino]methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN(CCO)CCO)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN(CCO)CCO)C

InChI

InChI=1S/C21H25NO6/c1-3-27-21(26)17-13(2)28-20-15-7-5-4-6-14(15)19(25)16(18(17)20)12-22(8-10-23)9-11-24/h4-7,23-25H,3,8-12H2,1-2H3