(3-ethoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl) pyridine-4-carboxylate

Systemtic Name: (3-ethoxycarbonyl-2-methyl-benzo[g][1]benzofuran-5-yl) pyridine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-methyl-benzo[g]benzofuran-5-yl) pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-ethoxycarbonyl-2-methyl-5-benzo[g]benzofuranyl) ester IUPAC Name: (3-ethoxycarbonyl-2-methylbenzo[g][1]benzofuran-5-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-carbethoxy-2-methyl-benzo[g]benzofuran-5-yl) ester Formula: C22H17NO5 MolecularWeight: 375.37408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C22H17NO5/c1-3-26-22(25)19-13(2)27-20-16-7-5-4-6-15(16)18(12-17(19)20)28-21(24)14-8-10-23-11-9-14/h4-12H,3H2,1-2H3