(3,3-dimethyl-2-oxidanylidene-butyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate CAS Name: 3-(2,4-dimethyl-3-pyrimido[1,2-b]indazolyl)propanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Traditional Name: 3-(2,4-dimethylpyrimid[1,2-b]indazol-3-yl)propionic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C21H25N3O3/c1-13-15(10-11-19(26)27-12-18(25)21(3,4)5)14(2)24-20(22-13)16-8-6-7-9-17(16)23-24/h6-9H,10-12H2,1-5H3