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

Systemtic Name: (3S)-N-[4-(1-adamantyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[4-(1-adamantyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[4-(1-adamantyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[4-(1-adamantyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-(1-adamantyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C25H27NO3 MolecularWeight: 389.48678

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5COC6=CC=CC=C6O5

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H27NO3/c27-24(23-15-28-21-3-1-2-4-22(21)29-23)26-20-7-5-19(6-8-20)25-12-16-9-17(13-25)11-18(10-16)14-25/h1-8,16-18,23H,9-15H2,(H,26,27)/t16?,17?,18?,23-,25?/m0/s1