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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H27NO5/c1-12(15-2-3-18-19(9-15)28-11-27-18)23-20(24)10-26-22(25)21-16-5-13-4-14(7-16)8-17(21)6-13/h2-3,9,12-14,16-17,21H,4-8,10-11H2,1H3,(H,23,24)/t12-,13?,14?,16?,17?,21?/m1/s1