N-[[3-(1-adamantyl)-5,6-bis(oxidanyl)-3,4-dihydro-1H-isochromen-1-yl]methyl]ethanamide

Systemtic Name: N-[[3-(1-adamantyl)-5,6-bis(oxidanyl)-3,4-dihydro-1H-isochromen-1-yl]methyl]ethanamide Openeye Name: N-[[3-(1-adamantyl)-5,6-dihydroxy-isochroman-1-yl]methyl]acetamide CAS Name: N-[[3-(1-adamantyl)-5,6-dihydroxy-3,4-dihydro-1H-2-benzopyran-1-yl]methyl]acetamide IUPAC Name: N-[[3-(1-adamantyl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methyl]acetamide Traditional Name: N-[[3-(1-adamantyl)-5,6-dihydroxy-isochroman-1-yl]methyl]acetamide Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1C2=C(CC(O1)C34CC5CC(C3)CC(C5)C4)C(=C(C=C2)O)O

Isomeric SMILES

CC(=O)NCC1C2=C(CC(O1)C34CC5CC(C3)CC(C5)C4)C(=C(C=C2)O)O

InChI

InChI=1S/C22H29NO4/c1-12(24)23-11-19-16-2-3-18(25)21(26)17(16)7-20(27-19)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,13-15,19-20,25-26H,4-11H2,1H3,(H,23,24)