3-[4-[4-(2-oxidanylidenechromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-[4-[4-(2-oxidanylidenechromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2-oxo-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2-oxochromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2-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(=O)C=C5

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4=CC5=C(C=C4)OC(=O)C=C5

InChI

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