[3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-3-carboxylate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-chromen-7-yl] pyridine-3-carboxylate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-chromen-7-yl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-(4-tert-butylphenoxy)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-(4-tert-butylphenoxy)-4-keto-chromen-7-yl] ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H21NO5/c1-25(2,3)17-6-8-18(9-7-17)30-22-15-29-21-13-19(10-11-20(21)23(22)27)31-24(28)16-5-4-12-26-14-16/h4-15H,1-3H3