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

Systemtic Name: (3S)-N-(1-adamantylmethyl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(1-adamantylmethyl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-(1-adamantylmethyl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-(1-adamantylmethyl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(1-adamantylmethyl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO3/c1-21(12-17-4-2-3-5-18(17)19(24)26-21)20(25)23-13-22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,14-16H,6-13H2,1H3,(H,23,25)/t14?,15?,16?,21-,22?/m0/s1