ethyl 5-[3-(dimethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[3-(dimethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[3-(dimethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[3-(dimethylamino)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(dimethylamino)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[3-(dimethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CN(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-4-26-22(25)20-18-12-17(27-14-16(24)13-23(2)3)10-11-19(18)28-21(20)15-8-6-5-7-9-15/h5-12,16,24H,4,13-14H2,1-3H3