ethyl 3-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H21N5O5/c1-3-29-19(27)7-9-22-20(28)15-11-24-26(13(15)2)21-23-8-6-16(25-21)14-4-5-17-18(10-14)31-12-30-17/h4-6,8,10-11H,3,7,9,12H2,1-2H3,(H,22,28)