ethyl 3-(5-ethoxycarbonyl-2-pyridin-2-yl-phenyl)-4-pyridin-2-yl-benzoate

Systemtic Name: ethyl 3-(5-ethoxycarbonyl-2-pyridin-2-yl-phenyl)-4-pyridin-2-yl-benzoate Openeye Name: ethyl 3-[5-ethoxycarbonyl-2-(2-pyridyl)phenyl]-4-(2-pyridyl)benzoate CAS Name: 3-[5-ethoxycarbonyl-2-(2-pyridinyl)phenyl]-4-(2-pyridinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(5-ethoxycarbonyl-2-pyridin-2-ylphenyl)-4-pyridin-2-ylbenzoate Traditional Name: 3-[5-carbethoxy-2-(2-pyridyl)phenyl]-4-(2-pyridyl)benzoic acid ethyl ester Formula: C28H24N2O4 MolecularWeight: 452.50116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=N2)C3=C(C=CC(=C3)C(=O)OCC)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C2=CC=CC=N2)C3=C(C=CC(=C3)C(=O)OCC)C4=CC=CC=N4

InChI

InChI=1S/C28H24N2O4/c1-3-33-27(31)19-11-13-21(25-9-5-7-15-29-25)23(17-19)24-18-20(28(32)34-4-2)12-14-22(24)26-10-6-8-16-30-26/h5-18H,3-4H2,1-2H3