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

Systemtic Name: 3-[4-[2-azanyl-6-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[2-amino-6-[4-(2-furylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-amino-6-[4-(2-furanylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-amino-6-[4-(furan-2-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-amino-6-[4-(2-furfuryl)piperazino]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CO4)N)(C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CO4)N)(C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O5/c1-29(27(35)36,39-23-6-3-2-4-7-23)19-21-9-11-22(12-10-21)38-26-18-25(31-28(30)32-26)34-15-13-33(14-16-34)20-24-8-5-17-37-24/h2-12,17-18H,13-16,19-20H2,1H3,(H,35,36)(H2,30,31,32)