2-[[4-[2-[5-(cyclohexylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[4-[2-[5-(cyclohexylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethanoic acid Openeye Name: 2-[[4-[2-[5-(cyclohexylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetic acid CAS Name: 2-[[4-[2-[5-[(cyclohexylamino)-oxomethyl]-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]acetic acid IUPAC Name: 2-[[4-[2-[5-(cyclohexylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetic acid Traditional Name: 2-[[4-[2-[5-(cyclohexylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]acetic acid Formula: C27H31FN6O5 MolecularWeight: 538.570643

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC(=O)O)C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC(=O)O)C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

InChI

InChI=1S/C27H31FN6O5/c1-27(25(37)31-18-5-3-2-4-6-18)14-38-24(39-15-27)23-33-21(16-7-9-17(28)10-8-16)22(34-23)19-11-12-29-26(32-19)30-13-20(35)36/h7-12,18,24H,2-6,13-15H2,1H3,(H,31,37)(H,33,34)(H,35,36)(H,29,30,32)