2-methyl-2-phenoxy-3-[4-[2-phenylazanyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]propanoic acid

Systemtic Name: 2-methyl-2-phenoxy-3-[4-[2-phenylazanyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]propanoic acid Openeye Name: 3-[4-[2-anilino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-anilino-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-anilino-6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-anilino-6-(4-benzylpiperazino)pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C37H37N5O4 MolecularWeight: 615.72078

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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=C4)NC5=CC=CC=C5)(C(=O)O)OC6=CC=CC=C6

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5)(C(=O)O)OC6=CC=CC=C6

InChI

InChI=1S/C37H37N5O4/c1-37(35(43)44,46-32-15-9-4-10-16-32)26-28-17-19-31(20-18-28)45-34-25-33(39-36(40-34)38-30-13-7-3-8-14-30)42-23-21-41(22-24-42)27-29-11-5-2-6-12-29/h2-20,25H,21-24,26-27H2,1H3,(H,43,44)(H,38,39,40)