(3R)-1-oxidanylidene-N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-1-oxidanylidene-N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-1-oxo-N-[2-(phenethylcarbamoyl)phenyl]isochromane-3-carboxamide CAS Name: (3R)-1-oxo-N-[2-[oxo-(phenethylamino)methyl]phenyl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-1-oxo-N-[2-(phenethylcarbamoyl)phenyl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-1-keto-N-[2-(phenethylcarbamoyl)phenyl]isochroman-3-carboxamide Formula: C25H22N2O4 MolecularWeight: 414.45318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC(=O)C2=CC=CC=C21)C(=O)NC3=CC=CC=C3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c28-23(26-15-14-17-8-2-1-3-9-17)20-12-6-7-13-21(20)27-24(29)22-16-18-10-4-5-11-19(18)25(30)31-22/h1-13,22H,14-16H2,(H,26,28)(H,27,29)/t22-/m1/s1