ethyl 2,6-bis(5-pyridin-2-ylpyridin-2-yl)pyridine-4-carboxylate

Systemtic Name: ethyl 2,6-bis(5-pyridin-2-ylpyridin-2-yl)pyridine-4-carboxylate Openeye Name: ethyl 2,6-bis[5-(2-pyridyl)-2-pyridyl]pyridine-4-carboxylate CAS Name: 2,6-bis[5-(2-pyridinyl)-2-pyridinyl]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,6-bis(5-pyridin-2-ylpyridin-2-yl)pyridine-4-carboxylate Traditional Name: 2,6-bis[5-(2-pyridyl)-2-pyridyl]isonicotinic acid ethyl ester Formula: C28H21N5O2 MolecularWeight: 459.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1)C2=NC=C(C=C2)C3=CC=CC=N3)C4=NC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1)C2=NC=C(C=C2)C3=CC=CC=N3)C4=NC=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H21N5O2/c1-2-35-28(34)21-15-26(24-11-9-19(17-31-24)22-7-3-5-13-29-22)33-27(16-21)25-12-10-20(18-32-25)23-8-4-6-14-30-23/h3-18H,2H2,1H3