2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoic acid Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-(5-methoxy-1H-indol-3-yl)acetic acid IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-(5-methoxy-1H-indol-3-yl)acetic acid Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2C(C(=O)O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C24H25N3O6/c1-31-15-6-7-18-16(12-15)17(13-25-18)22(24(29)30)26-8-10-27(11-9-26)23(28)21-14-32-19-4-2-3-5-20(19)33-21/h2-7,12-13,21-22,25H,8-11,14H2,1H3,(H,29,30)