methyl 5-bromanyl-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-bromanyl-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-bromo-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]benzofuran-2-carboxylate CAS Name: 5-bromo-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]coumarilic acid methyl ester Formula: C25H24BrN3O4 MolecularWeight: 510.37976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC(=CC(=C2O1)OCCNCCCCC3=CNC4=C3C=C(C=C4)C#N)Br

Isomeric SMILES

COC(=O)C1=CC2=CC(=CC(=C2O1)OCCNCCCCC3=CNC4=C3C=C(C=C4)C#N)Br

InChI

InChI=1S/C25H24BrN3O4/c1-31-25(30)23-12-18-11-19(26)13-22(24(18)33-23)32-9-8-28-7-3-2-4-17-15-29-21-6-5-16(14-27)10-20(17)21/h5-6,10-13,15,28-29H,2-4,7-9H2,1H3