[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-keto-ethyl] ester Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC#N)C(=O)COC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H28N2O5/c25-4-1-5-26(19-2-3-20-21(13-19)30-7-6-29-20)22(27)14-31-24(28)23-17-9-15-8-16(11-17)12-18(23)10-15/h2-3,13,15-18,23H,1,5-12,14H2