3-[4-[4-(4-oxidanylidenechromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(4-oxidanylidenechromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(4-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(4-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(4-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(4-ketochromen-6-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4)OC=CC5=O

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4)OC=CC5=O

InChI

InChI=1S/C26H27N3O4/c30-24-8-14-33-25-7-5-20(16-22(24)25)29-12-10-28(11-13-29)9-2-1-3-19-17-27-23-6-4-18(26(31)32)15-21(19)23/h4-8,14-17,27H,1-3,9-13H2,(H,31,32)