(3S)-N-(1-adamantyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-(1-adamantyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(1-adamantyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(1-adamantyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(1-adamantyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(1-adamantyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO3/c1-20(12-16-4-2-3-5-17(16)18(23)25-20)19(24)22-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3,(H,22,24)/t13?,14?,15?,20-,21?/m0/s1