(3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) pyridine-4-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) pyridine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-phenyl-benzofuran-5-yl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-ethoxycarbonyl-2-phenyl-5-benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-phenyl-1-benzofuran-5-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-carbethoxy-2-phenyl-benzofuran-5-yl) ester Formula: C23H17NO5 MolecularWeight: 387.38478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=NC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=NC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H17NO5/c1-2-27-23(26)20-18-14-17(28-22(25)16-10-12-24-13-11-16)8-9-19(18)29-21(20)15-6-4-3-5-7-15/h3-14H,2H2,1H3