3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[3-(4-chlorophenyl)-2-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[3-(4-chlorophenyl)-2-ethyl-7-keto-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-3-14-16(11-4-6-12(19)7-5-11)17-20-10(2)13(8-9-15(23)24)18(25)22(17)21-14/h4-7,21H,3,8-9H2,1-2H3,(H,23,24)