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

Systemtic Name: 2-methyl-2-phenoxy-3-[4-[6-[4-(phenylmethyl)piperazin-1-yl]-2-pyrrolidin-1-yl-pyrimidin-4-yl]oxyphenyl]propanoic acid Openeye Name: 3-[4-[6-(4-benzylpiperazin-1-yl)-2-pyrrolidin-1-yl-pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 2-methyl-2-phenoxy-3-[4-[[6-[4-(phenylmethyl)-1-piperazinyl]-2-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-[4-[6-(4-benzylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[6-(4-benzylpiperazino)-2-pyrrolidino-pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C35H39N5O4 MolecularWeight: 593.71526

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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)N5CCCC5)(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)N5CCCC5)(C(=O)O)OC6=CC=CC=C6

InChI

InChI=1S/C35H39N5O4/c1-35(33(41)42,44-30-12-6-3-7-13-30)25-27-14-16-29(17-15-27)43-32-24-31(36-34(37-32)40-18-8-9-19-40)39-22-20-38(21-23-39)26-28-10-4-2-5-11-28/h2-7,10-17,24H,8-9,18-23,25-26H2,1H3,(H,41,42)