(3S)-N-(1-adamantylmethyl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO3/c23-19(18-8-16-3-1-2-4-17(16)20(24)25-18)22-12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-15,18H,5-12H2,(H,22,23)/t13?,14?,15?,18-,21?/m0/s1