ethyl 5-bromanyl-4-(dimethylaminomethyl)-2-[[methyl(phenyl)amino]methyl]-6-oxidanyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-4-(dimethylaminomethyl)-2-[[methyl(phenyl)amino]methyl]-6-oxidanyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-bromo-4-(dimethylaminomethyl)-6-hydroxy-2-[(N-methylanilino)methyl]benzofuran-3-carboxylate CAS Name: 5-bromo-4-(dimethylaminomethyl)-6-hydroxy-2-[(N-methylanilino)methyl]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-4-(dimethylaminomethyl)-6-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate Traditional Name: 5-bromo-4-(dimethylaminomethyl)-6-hydroxy-2-[(N-methylanilino)methyl]benzofuran-3-carboxylic acid ethyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)Br)O)CN(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)Br)O)CN(C)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O4/c1-5-28-22(27)20-18(13-25(4)14-9-7-6-8-10-14)29-17-11-16(26)21(23)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3