(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(4-tert-butylphenyl)-4-oxidanylidene-butanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(4-tert-butylphenyl)-4-oxo-butanoate CAS Name: 4-(4-tert-butylphenyl)-4-oxobutanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(4-tert-butylphenyl)-4-oxobutanoate Traditional Name: 4-(4-tert-butylphenyl)-4-keto-butyric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H27NO6/c1-16(28)27-20-9-10-21-18(13-25(31)33-23(21)14-20)15-32-24(30)12-11-22(29)17-5-7-19(8-6-17)26(2,3)4/h5-10,13-14H,11-12,15H2,1-4H3,(H,27,28)