methyl 2-(2-tert-butyl-1-methyl-indol-3-yl)-2-cyano-ethanoate

Systemtic Name: methyl 2-(2-tert-butyl-1-methyl-indol-3-yl)-2-cyano-ethanoate Openeye Name: methyl 2-(2-tert-butyl-1-methyl-indol-3-yl)-2-cyano-acetate CAS Name: 2-(2-tert-butyl-1-methyl-3-indolyl)-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-(2-tert-butyl-1-methylindol-3-yl)-2-cyanoacetate Traditional Name: 2-(2-tert-butyl-1-methyl-indol-3-yl)-2-cyano-acetic acid methyl ester Formula: C17H20N2O2 MolecularWeight: 284.3529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C2=CC=CC=C2N1C)C(C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(C2=CC=CC=C2N1C)C(C#N)C(=O)OC

InChI

InChI=1S/C17H20N2O2/c1-17(2,3)15-14(12(10-18)16(20)21-5)11-8-6-7-9-13(11)19(15)4/h6-9,12H,1-5H3