[2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[1-(1-adamantyl)ethylamino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[1-(1-adamantyl)ethylamino]-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[1-(1-adamantyl)ethylamino]-2-keto-ethyl] ester Formula: C24H31NO6 MolecularWeight: 429.50604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=C(C(=C4)OC)OCCO5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC5=C(C(=C4)OC)OCCO5

InChI

InChI=1S/C24H31NO6/c1-14(24-10-15-5-16(11-24)7-17(6-15)12-24)25-21(26)13-31-23(27)18-8-19(28-2)22-20(9-18)29-3-4-30-22/h8-9,14-17H,3-7,10-13H2,1-2H3,(H,25,26)