ethyl 2-methyl-6-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-6-[2-oxidanyl-3-[(phenylmethyl)amino]propoxy]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 6-[3-(benzylamino)-2-hydroxy-propoxy]-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 6-[2-hydroxy-3-[(phenylmethyl)amino]propoxy]-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(benzylamino)-2-hydroxypropoxy]-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 6-[3-(benzylamino)-2-hydroxy-propoxy]-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(CNCC4=CC=CC=C4)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(CNCC4=CC=CC=C4)O)C

InChI

InChI=1S/C26H27NO5/c1-3-30-26(29)24-17(2)32-25-21-10-7-11-23(20(21)12-13-22(24)25)31-16-19(28)15-27-14-18-8-5-4-6-9-18/h4-13,19,27-28H,3,14-16H2,1-2H3