[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c25-19(12-29-20(26)18-11-28-16-3-1-2-4-17(16)30-18)23-21(27)24-22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15,18H,5-12H2,(H2,23,24,25,27)/t13?,14?,15?,18-,22?/m1/s1