[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4)Cl)OC1

InChI

InChI=1S/C22H26ClNO5/c23-17-7-16(8-18-20(17)28-3-1-2-27-18)21(26)29-12-19(25)24-22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,1-6,9-12H2,(H,24,25)