methyl 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethyl-cyclohexene-1-carboxylate Openeye Name: methyl 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethyl-cyclohexene-1-carboxylate CAS Name: 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethyl-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethylcyclohexene-1-carboxylate Traditional Name: 3-[1-(cyanomethyl)-1H-inden-2-yl]-2,6,6-trimethyl-cyclohexene-1-carboxylic acid methyl ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1C2=CC3=CC=CC=C3C2CC#N)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(CCC1C2=CC3=CC=CC=C3C2CC#N)(C)C)C(=O)OC

InChI

InChI=1S/C22H25NO2/c1-14-16(9-11-22(2,3)20(14)21(24)25-4)19-13-15-7-5-6-8-17(15)18(19)10-12-23/h5-8,13,16,18H,9-11H2,1-4H3