7-(1-adamantylcarbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-(1-adamantylcarbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-(adamantane-1-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[1-adamantyl(oxo)methyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-(adamantane-1-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(adamantane-1-carbonylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C34CC5CC(C3)CC(C5)C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)C34CC5CC(C3)CC(C5)C4)OC1

InChI

InChI=1S/C21H25NO5/c23-19(24)15-7-17-18(27-3-1-2-26-17)8-16(15)22-20(25)21-9-12-4-13(10-21)6-14(5-12)11-21/h7-8,12-14H,1-6,9-11H2,(H,22,25)(H,23,24)/p-1