4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid

Systemtic Name: 4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid Openeye Name: 4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxazol-2-yl]benzoic acid CAS Name: 4-[5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-oxazolyl]benzoic acid IUPAC Name: 4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid Traditional Name: 4-[5-methyl-4-[[4-(2-pyrimidyl)piperazino]methyl]oxazol-2-yl]benzoic acid Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H21N5O3/c1-14-17(23-18(28-14)15-3-5-16(6-4-15)19(26)27)13-24-9-11-25(12-10-24)20-21-7-2-8-22-20/h2-8H,9-13H2,1H3,(H,26,27)