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

Systemtic Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Openeye Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid CAS Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-piperazinyl]butyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid Traditional Name: 3-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)piperazino]butyl]-1H-indole-5-carboxylic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C(=O)O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N3O4/c29-25(30)18-8-9-21-20(15-18)19(16-26-21)5-3-4-10-27-11-13-28(14-12-27)24-17-31-22-6-1-2-7-23(22)32-24/h1-2,6-9,15-16,24,26H,3-5,10-14,17H2,(H,29,30)