2-[(R)-1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[(R)-1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[(R)-1H-indol-3-yl(2-pyridyl)methyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[(R)-1H-indol-3-yl(2-pyridinyl)methyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[(R)-1H-indol-3-yl(pyridin-2-yl)methyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[(R)-1H-indol-3-yl(2-pyridyl)methyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C22H21N2O2- MolecularWeight: 345.41434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=CC=N2)C3=CNC4=CC=CC=C43)[O-])C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@H](C2=CC=CC=N2)C3=CNC4=CC=CC=C43)[O-])C

InChI

InChI=1S/C22H22N2O2/c1-22(2)11-18(25)21(19(26)12-22)20(17-9-5-6-10-23-17)15-13-24-16-8-4-3-7-14(15)16/h3-10,13,20,24-25H,11-12H2,1-2H3/p-1/t20-/m0/s1