(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-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 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)N4C=NC=N4)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)N4C=NC=N4)C(C)C

InChI

InChI=1S/C22H20N4O4/c1-13(2)17-9-18-15(8-20(27)30-19(18)7-14(17)3)10-29-22(28)16-5-4-6-24-21(16)26-12-23-11-25-26/h4-9,11-13H,10H2,1-3H3