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

Systemtic Name: methyl 7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-1-benzofuran-2-carboxylate Openeye Name: methyl 7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]benzofuran-2-carboxylate CAS Name: 7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]-1-benzofuran-2-carboxylate Traditional Name: 7-[2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy]coumarilic acid methyl ester Formula: C25H25N3O4 MolecularWeight: 431.4837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(O1)C(=CC=C2)OCCNCCCCC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(O1)C(=CC=C2)OCCNCCCCC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C25H25N3O4/c1-30-25(29)23-14-18-6-4-7-22(24(18)32-23)31-12-11-27-10-3-2-5-19-16-28-21-9-8-17(15-26)13-20(19)21/h4,6-9,13-14,16,27-28H,2-3,5,10-12H2,1H3