2,6-dimethyl-4-phenanthren-9-yl-pyridine-3-carboxylate

Systemtic Name: 2,6-dimethyl-4-phenanthren-9-yl-pyridine-3-carboxylate Openeye Name: 2,6-dimethyl-4-(9-phenanthryl)pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(9-phenanthrenyl)-3-pyridinecarboxylate IUPAC Name: 2,6-dimethyl-4-phenanthren-9-ylpyridine-3-carboxylate Traditional Name: 2,6-dimethyl-4-(9-phenanthryl)nicotinate Formula: C22H16NO2- MolecularWeight: 326.36794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)[O-])C

Isomeric SMILES

CC1=NC(=C(C(=C1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)[O-])C

InChI

InChI=1S/C22H17NO2/c1-13-11-20(21(22(24)25)14(2)23-13)19-12-15-7-3-4-8-16(15)17-9-5-6-10-18(17)19/h3-12H,1-2H3,(H,24,25)/p-1