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

Systemtic Name: 3-[4-[2-azanyl-6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[2-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-amino-6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-amino-6-[4-(furan-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-amino-6-[4-(2-furoyl)piperazino]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C29H29N5O6 MolecularWeight: 543.57046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CO4)N)(C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)C(=O)C4=CC=CO4)N)(C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N5O6/c1-29(27(36)37,40-22-6-3-2-4-7-22)19-20-9-11-21(12-10-20)39-25-18-24(31-28(30)32-25)33-13-15-34(16-14-33)26(35)23-8-5-17-38-23/h2-12,17-18H,13-16,19H2,1H3,(H,36,37)(H2,30,31,32)