[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] pyridine-3-carboxylate Openeye Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(3,4-dimethoxyphenyl)-4-keto-5,7-dimethyl-chromen-3-yl] ester Formula: C25H21NO6 MolecularWeight: 431.43734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)OC(=C(C2=O)OC(=O)C3=CN=CC=C3)C4=CC(=C(C=C4)OC)OC)C

InChI

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