ethyl 3-[[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[1-[4-(3-fluoranyl-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[4-(3-fluoro-4-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[4-(3-fluoro-4-methoxy-phenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C21H22FN5O4 MolecularWeight: 427.428883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C21H22FN5O4/c1-4-31-19(28)8-10-23-20(29)15-12-25-27(13(15)2)21-24-9-7-17(26-21)14-5-6-18(30-3)16(22)11-14/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,23,29)