4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoic acid

Systemtic Name: 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoic acid Openeye Name: 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoic acid CAS Name: 4-[2,3-dimethoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]butanoic acid IUPAC Name: 4-[2,3-dimethoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]butanoic acid Traditional Name: 4-[2,3-dimethoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]butyric acid Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3)OCCCC(=O)O)OC

InChI

InChI=1S/C21H28N4O5/c1-28-17-7-6-16(19(20(17)29-2)30-14-3-5-18(26)27)15-24-10-12-25(13-11-24)21-22-8-4-9-23-21/h4,6-9H,3,5,10-15H2,1-2H3,(H,26,27)