2-[C-butyl-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: 2-[C-butyl-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-olate Openeye Name: 2-[C-butyl-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5,5-dimethyl-3-oxo-cyclohexen-1-olate CAS Name: 2-[1-[2-(2,5-dimethyl-1H-indol-3-yl)ethylimino]pentyl]-5,5-dimethyl-3-oxo-1-cyclohexenolate IUPAC Name: 2-[C-butyl-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbonimidoyl]-5,5-dimethyl-3-oxocyclohexen-1-olate Traditional Name: 2-[C-butyl-N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]carbonimidoyl]-3-keto-5,5-dimethyl-cyclohexen-1-olate Formula: C25H33N2O2- MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=NCCC1=C(NC2=C1C=C(C=C2)C)C)C3=C(CC(CC3=O)(C)C)[O-]

Isomeric SMILES

CCCCC(=NCCC1=C(NC2=C1C=C(C=C2)C)C)C3=C(CC(CC3=O)(C)C)[O-]

InChI

InChI=1S/C25H34N2O2/c1-6-7-8-21(24-22(28)14-25(4,5)15-23(24)29)26-12-11-18-17(3)27-20-10-9-16(2)13-19(18)20/h9-10,13,27-28H,6-8,11-12,14-15H2,1-5H3/p-1