2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butanoate

Systemtic Name: 2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butanoate Openeye Name: 2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butanoate CAS Name: 2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butanoate IUPAC Name: 2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butanoate Traditional Name: 2-(1-ethyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)butyrate Formula: C19H24NO2- MolecularWeight: 298.39936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC2C1C3=CC=CC=C3C(=N2)C(CC)C(=O)[O-]

Isomeric SMILES

CCC1CCCC2C1C3=CC=CC=C3C(=N2)C(CC)C(=O)[O-]

InChI

InChI=1S/C19H25NO2/c1-3-12-8-7-11-16-17(12)14-9-5-6-10-15(14)18(20-16)13(4-2)19(21)22/h5-6,9-10,12-13,16-17H,3-4,7-8,11H2,1-2H3,(H,21,22)/p-1