[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(4-tert-butylphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C(C)(C)C)OC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C27H25NO4/c1-16-14-21-22(15-17(16)2)31-24(18-6-8-20(9-7-18)27(3,4)5)25(23(21)29)32-26(30)19-10-12-28-13-11-19/h6-15H,1-5H3