[6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate

Systemtic Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate Openeye Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(3,4-dimethoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [6-(3,4-dimethoxyphenyl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC(=C(C=C3)OC)OC)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C25H21NO6/c1-14-23-19(27)11-18(17-5-6-20(29-3)21(12-17)30-4)13-22(24(23)15(2)31-14)32-25(28)16-7-9-26-10-8-16/h5-13H,1-4H3