(5-chloranyl-1H-indol-3-yl) 3-(4-tert-butylpyridin-2-yl)-2-methyl-3-oxidanylidene-propanoate

Systemtic Name: (5-chloranyl-1H-indol-3-yl) 3-(4-tert-butylpyridin-2-yl)-2-methyl-3-oxidanylidene-propanoate Openeye Name: (5-chloro-1H-indol-3-yl) 3-(4-tert-butyl-2-pyridyl)-2-methyl-3-oxo-propanoate CAS Name: 3-(4-tert-butyl-2-pyridinyl)-2-methyl-3-oxopropanoic acid (5-chloro-1H-indol-3-yl) ester IUPAC Name: (5-chloro-1H-indol-3-yl) 3-(4-tert-butylpyridin-2-yl)-2-methyl-3-oxopropanoate Traditional Name: 3-(4-tert-butyl-2-pyridyl)-3-keto-2-methyl-propionic acid (5-chloro-1H-indol-3-yl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-12(19(25)17-9-13(7-8-23-17)21(2,3)4)20(26)27-18-11-24-16-6-5-14(22)10-15(16)18/h5-12,24H,1-4H3