(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl pyridine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl pyridine-4-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=NC=C3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=NC=C3)C(C)C

InChI

InChI=1S/C20H19NO4/c1-12(2)16-10-17-15(9-19(22)25-18(17)8-13(16)3)11-24-20(23)14-4-6-21-7-5-14/h4-10,12H,11H2,1-3H3