N-(5-tert-butyl-2-methoxy-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-oxo-isochromane-3-carboxamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-1-keto-isochroman-3-carboxamide Formula: C21H23NO4 MolecularWeight: 353.41162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)C2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H23NO4/c1-21(2,3)14-9-10-17(25-4)16(12-14)22-19(23)18-11-13-7-5-6-8-15(13)20(24)26-18/h5-10,12,18H,11H2,1-4H3,(H,22,23)