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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] adamantane-1-carboxylate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-[ethyl(piperonyl)amino]-2-keto-ethyl] ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29NO5/c1-2-24(12-15-3-4-19-20(8-15)29-14-28-19)21(25)13-27-22(26)23-9-16-5-17(10-23)7-18(6-16)11-23/h3-4,8,16-18H,2,5-7,9-14H2,1H3