[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] adamantane-1-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCC4COC5=CC=CC=C5O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(=O)NCC4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H27NO5/c24-20(23-11-17-12-26-18-3-1-2-4-19(18)28-17)13-27-21(25)22-8-14-5-15(9-22)7-16(6-14)10-22/h1-4,14-17H,5-13H2,(H,23,24)