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

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(2,6-diethylanilino)-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-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-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-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C22H24ClNO5/c1-3-14-7-5-8-15(4-2)20(14)24-19(25)13-29-22(26)16-11-17(23)21-18(12-16)27-9-6-10-28-21/h5,7-8,11-12H,3-4,6,9-10,13H2,1-2H3,(H,24,25)