[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CC(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27NO5/c24-20(23-22-10-15-5-16(11-22)7-17(6-15)12-22)13-28-21(25)9-14-1-2-18-19(8-14)27-4-3-26-18/h1-2,8,15-17H,3-7,9-13H2,(H,23,24)