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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(2-methyl-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(2-methyl-1H-indol-3-yl)acetic acid Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(C(=O)O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N3O5/c1-15-21(16-6-2-3-7-17(16)25-15)22(24(29)30)26-10-12-27(13-11-26)23(28)20-14-31-18-8-4-5-9-19(18)32-20/h2-9,20,22,25H,10-14H2,1H3,(H,29,30)