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

Systemtic Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-(4-chroman-6-ylpiperazin-1-yl)butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(3,4-dihydro-2H-chromen-6-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-(4-chroman-6-ylpiperazino)butyl]-1H-indole-5-carboxylic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O)OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C(=O)O)OC1

InChI

InChI=1S/C26H31N3O3/c30-26(31)20-6-8-24-23(17-20)21(18-27-24)4-1-2-10-28-11-13-29(14-12-28)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,27H,1-5,10-15H2,(H,30,31)