7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[2-(3,5-dimethyl-4-isoxazolyl)-1-oxoethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[[2-(3,5-dimethylisoxazol-4-yl)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C17H17N2O6- MolecularWeight: 345.32668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

CC1=C(C(=NO1)C)CC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C17H18N2O6/c1-9-11(10(2)25-19-9)7-16(20)18-13-8-15-14(6-12(13)17(21)22)23-4-3-5-24-15/h6,8H,3-5,7H2,1-2H3,(H,18,20)(H,21,22)/p-1