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

Systemtic Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: adamantane-2-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)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

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