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

Systemtic Name: 3-[3-(4-methoxyphenyl)-2,5-dimethyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Openeye Name: 3-[3-(4-methoxyphenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid CAS Name: 3-[3-(4-methoxyphenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid IUPAC Name: 3-[3-(4-methoxyphenyl)-2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid Traditional Name: 3-[7-keto-3-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propionic acid Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C2=NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N3O4/c1-10-14(8-9-15(22)23)18(24)21-17(19-10)16(11(2)20-21)12-4-6-13(25-3)7-5-12/h4-7,20H,8-9H2,1-3H3,(H,22,23)