N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(1R,3S)-5-hydroxy-2-adamantyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(1R,3S)-5-hydroxy-2-adamantyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(1R,3S)-5-hydroxy-2-adamantyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(1R,3S)-5-hydroxy-2-adamantyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H23NO4 MolecularWeight: 329.39022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3NC(=O)C4COC5=CC=CC=C5O4)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2NC(=O)C4COC5=CC=CC=C5O4)CC1C3)O

InChI

InChI=1S/C19H23NO4/c21-18(16-10-23-14-3-1-2-4-15(14)24-16)20-17-12-5-11-6-13(17)9-19(22,7-11)8-12/h1-4,11-13,16-17,22H,5-10H2,(H,20,21)/t11?,12-,13+,16?,17?,19?