2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(1H-indol-3-yl)acetic acid Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CCN1C(C2=CNC3=CC=CC=C32)C(=O)O)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C23H23N3O5/c27-22(20-14-30-18-7-3-4-8-19(18)31-20)26-11-9-25(10-12-26)21(23(28)29)16-13-24-17-6-2-1-5-15(16)17/h1-8,13,20-21,24H,9-12,14H2,(H,28,29)