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

Systemtic Name: 2-methyl-2-phenoxy-3-[4-[6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]propanoic acid Openeye Name: 3-[4-[6-(4-benzylpiperazin-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]-4-pyrimidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-[4-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[6-(4-benzylpiperazino)pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C31H32N4O4 MolecularWeight: 524.61018

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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)(C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC=NC(=C2)N3CCN(CC3)CC4=CC=CC=C4)(C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C31H32N4O4/c1-31(30(36)37,39-27-10-6-3-7-11-27)21-24-12-14-26(15-13-24)38-29-20-28(32-23-33-29)35-18-16-34(17-19-35)22-25-8-4-2-5-9-25/h2-15,20,23H,16-19,21-22H2,1H3,(H,36,37)