3-[4-[2-azanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid

Systemtic Name: 3-[4-[2-azanyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[2-amino-6-[4-(2-pyridylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-amino-6-[4-(2-pyridinylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-amino-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-amino-6-[4-(2-pyridylmethyl)piperazino]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C30H32N6O4 MolecularWeight: 540.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CC=N4)N)(C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CC=N4)N)(C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C30H32N6O4/c1-30(28(37)38,40-25-8-3-2-4-9-25)20-22-10-12-24(13-11-22)39-27-19-26(33-29(31)34-27)36-17-15-35(16-18-36)21-23-7-5-6-14-32-23/h2-14,19H,15-18,20-21H2,1H3,(H,37,38)(H2,31,33,34)