[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3C4CC5CC(C4)CC3C5)OC1

InChI

InChI=1S/C22H27NO5/c24-20(23-17-2-3-18-19(11-17)27-5-1-4-26-18)12-28-22(25)21-15-7-13-6-14(9-15)10-16(21)8-13/h2-3,11,13-16,21H,1,4-10,12H2,(H,23,24)