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

Systemtic Name: ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]benzofuran-2-carboxylate CAS Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazin-4-iumyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]-1-benzofuran-2-carboxylate Traditional Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-4-ium-1-yl]coumarilic acid ethyl ester Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CC[NH+](CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CC[NH+](CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

InChI

InChI=1S/C28H30N4O3/c1-2-34-28(33)27-17-22-16-23(7-9-26(22)35-27)32-13-11-31(12-14-32)10-4-3-5-21-19-30-25-8-6-20(18-29)15-24(21)25/h6-9,15-17,19,30H,2-5,10-14H2,1H3/p+1