methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Openeye Name: methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylate CAS Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate Traditional Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazino]coumarilic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

Isomeric SMILES

COC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

InChI

InChI=1S/C27H28N4O3/c1-33-27(32)26-16-21-15-22(6-8-25(21)34-26)31-12-10-30(11-13-31)9-3-2-4-20-18-29-24-7-5-19(17-28)14-23(20)24/h5-8,14-16,18,29H,2-4,9-13H2,1H3