[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25NO5/c23-19(22-21-8-13-5-14(9-21)7-15(6-13)10-21)12-26-20(24)18-11-25-16-3-1-2-4-17(16)27-18/h1-4,13-15,18H,5-12H2,(H,22,23)/t13?,14?,15?,18-,21?/m0/s1