[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] adamantane-1-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO5/c1-13(20(24)23-11-14-2-3-18-19(7-14)27-12-26-18)28-21(25)22-8-15-4-16(9-22)6-17(5-15)10-22/h2-3,7,13,15-17H,4-6,8-12H2,1H3,(H,23,24)/t13-,15?,16?,17?,22?/m1/s1