[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C19H22N2O6 MolecularWeight: 374.38778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6/c1-19(2,3)15-10-17(27-21-15)20-16(22)11-26-18(23)12-5-6-13-14(9-12)25-8-4-7-24-13/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,20,22)