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

Systemtic Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate Openeye Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(4-methoxyphenyl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [8-keto-6-(4-methoxyphenyl)-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C24H19NO5 MolecularWeight: 401.41136

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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(=O)C4=CC=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO5/c1-14-22-20(26)12-18(16-4-6-19(28-3)7-5-16)13-21(23(22)15(2)29-14)30-24(27)17-8-10-25-11-9-17/h4-13H,1-3H3