(5-tert-butyl-1H-indol-3-yl) 3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoate

Systemtic Name: (5-tert-butyl-1H-indol-3-yl) 3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoate Openeye Name: (5-tert-butyl-1H-indol-3-yl) 3-(4-methyl-2-pyridyl)-3-oxo-propanoate CAS Name: 3-(4-methyl-2-pyridinyl)-3-oxopropanoic acid (5-tert-butyl-1H-indol-3-yl) ester IUPAC Name: (5-tert-butyl-1H-indol-3-yl) 3-(4-methylpyridin-2-yl)-3-oxopropanoate Traditional Name: 3-keto-3-(4-methyl-2-pyridyl)propionic acid (5-tert-butyl-1H-indol-3-yl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)OC2=CNC3=C2C=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)OC2=CNC3=C2C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H22N2O3/c1-13-7-8-22-17(9-13)18(24)11-20(25)26-19-12-23-16-6-5-14(10-15(16)19)21(2,3)4/h5-10,12,23H,11H2,1-4H3