methyl (3R)-3-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: methyl (3R)-3-[[4-chloranyl-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: methyl (3R)-4-(tert-butoxycarbonylamino)-3-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]butanoate CAS Name: (3R)-3-[[4-chloro-6-(2-phenoxyethoxy)-2-pyrimidinyl]amino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (3R)-3-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (3R)-4-(tert-butoxycarbonylamino)-3-[[4-chloro-6-(2-phenoxyethoxy)pyrimidin-2-yl]amino]butyric acid methyl ester Formula: C22H29ClN4O6 MolecularWeight: 480.94186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC(=O)OC)NC1=NC(=CC(=N1)Cl)OCCOC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@@H](CC(=O)OC)NC1=NC(=CC(=N1)Cl)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H29ClN4O6/c1-22(2,3)33-21(29)24-14-15(12-19(28)30-4)25-20-26-17(23)13-18(27-20)32-11-10-31-16-8-6-5-7-9-16/h5-9,13,15H,10-12,14H2,1-4H3,(H,24,29)(H,25,26,27)/t15-/m1/s1