(3S)-N-(2-tert-butylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(2-tert-butylphenyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(2-tert-butylphenyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(2-tert-butylphenyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(2-tert-butylphenyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(2-tert-butylphenyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(C)(C)C

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(C)(C)C

InChI

InChI=1S/C21H23NO3/c1-20(2,3)16-11-7-8-12-17(16)22-19(24)21(4)13-14-9-5-6-10-15(14)18(23)25-21/h5-12H,13H2,1-4H3,(H,22,24)/t21-/m0/s1