2-[6-(4-tert-butylphenyl)-1-methyl-indol-3-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[6-(4-tert-butylphenyl)-1-methyl-indol-3-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[6-(4-tert-butylphenyl)-1-methyl-indol-3-yl]-2-oxo-acetic acid CAS Name: 2-[6-(4-tert-butylphenyl)-1-methyl-3-indolyl]-2-oxoacetic acid IUPAC Name: 2-[6-(4-tert-butylphenyl)-1-methylindol-3-yl]-2-oxoacetic acid Traditional Name: 2-[6-(4-tert-butylphenyl)-1-methyl-indol-3-yl]-2-keto-acetic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3C)C(=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3C)C(=O)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-21(2,3)15-8-5-13(6-9-15)14-7-10-16-17(19(23)20(24)25)12-22(4)18(16)11-14/h5-12H,1-4H3,(H,24,25)