3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxo-pyridin-2-olate CAS Name: 3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-pyridinolate IUPAC Name: 3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-oxopyridin-2-olate Traditional Name: 3-hexyl-1-[2-(1H-indol-3-yl)ethyl]-4-keto-pyridin-2-olate Formula: C21H25N2O2- MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C=CC1=O)CCC2=CNC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCCCCC1=C(N(C=CC1=O)CCC2=CNC3=CC=CC=C32)[O-]

InChI

InChI=1S/C21H26N2O2/c1-2-3-4-5-9-18-20(24)12-14-23(21(18)25)13-11-16-15-22-19-10-7-6-8-17(16)19/h6-8,10,12,14-15,22,25H,2-5,9,11,13H2,1H3/p-1