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

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl] pyridine-4-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl] ester Formula: C26H22ClNO4 MolecularWeight: 447.91018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClNO4/c1-15-13-21-19(14-20(15)27)22(29)24(32-25(30)17-9-11-28-12-10-17)23(31-21)16-5-7-18(8-6-16)26(2,3)4/h5-14H,1-4H3