(3S)-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-3-methyl-N-[(1S)-1-(o-tolyl)ethyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-1-keto-3-methyl-N-[(1S)-1-(o-tolyl)ethyl]isochroman-3-carboxamide Formula: C20H21NO3 MolecularWeight: 323.38564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2(CC3=CC=CC=C3C(=O)O2)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)[C@@]2(CC3=CC=CC=C3C(=O)O2)C

InChI

InChI=1S/C20H21NO3/c1-13-8-4-6-10-16(13)14(2)21-19(23)20(3)12-15-9-5-7-11-17(15)18(22)24-20/h4-11,14H,12H2,1-3H3,(H,21,23)/t14-,20-/m0/s1