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

Systemtic Name: 3-[4-[2-azanyl-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[4-[2-amino-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[4-[[2-amino-6-[4-(cyclohexylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]phenyl]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[4-[2-amino-6-[4-(cyclohexylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[4-[2-amino-6-[4-(cyclohexylmethyl)piperazino]pyrimidin-4-yl]oxyphenyl]-2-methyl-2-phenoxy-propionic acid Formula: C31H39N5O4 MolecularWeight: 545.67246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4CCCCC4)N)(C(=O)O)OC5=CC=CC=C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC2=NC(=NC(=C2)N3CCN(CC3)CC4CCCCC4)N)(C(=O)O)OC5=CC=CC=C5

InChI

InChI=1S/C31H39N5O4/c1-31(29(37)38,40-26-10-6-3-7-11-26)21-23-12-14-25(15-13-23)39-28-20-27(33-30(32)34-28)36-18-16-35(17-19-36)22-24-8-4-2-5-9-24/h3,6-7,10-15,20,24H,2,4-5,8-9,16-19,21-22H2,1H3,(H,37,38)(H2,32,33,34)