6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Openeye Name: 6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylic acid CAS Name: 6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid IUPAC Name: 6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid Traditional Name: 6-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazino]coumarilic acid Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)C=C(O5)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)C=C(O5)C(=O)O

InChI

InChI=1S/C26H26N4O3/c27-16-18-4-7-23-22(13-18)20(17-28-23)3-1-2-8-29-9-11-30(12-10-29)21-6-5-19-14-25(26(31)32)33-24(19)15-21/h4-7,13-15,17,28H,1-3,8-12H2,(H,31,32)