(3-aminocarbonylphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate

Systemtic Name: (3-aminocarbonylphenyl) 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoate Openeye Name: (3-carbamoylphenyl) 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-carbamoylphenyl) ester IUPAC Name: (3-carbamoylphenyl) 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 (3-carbamoylphenyl) ester Formula: C22H20N4O3 MolecularWeight: 388.4192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OC4=CC=CC(=C4)C(=O)N

Isomeric SMILES

CC1=C(C(=NC2=C3C=CC=CC3=NN12)C)CCC(=O)OC4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C22H20N4O3/c1-13-17(10-11-20(27)29-16-7-5-6-15(12-16)21(23)28)14(2)26-22(24-13)18-8-3-4-9-19(18)25-26/h3-9,12H,10-11H2,1-2H3,(H2,23,28)