N-(5-acetamido-2-methoxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyramide Formula: C22H24N2O6 MolecularWeight: 412.43576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H24N2O6/c1-14(25)23-16-5-8-19(28-2)17(13-16)24-22(27)9-6-18(26)15-4-7-20-21(12-15)30-11-3-10-29-20/h4-5,7-8,12-13H,3,6,9-11H2,1-2H3,(H,23,25)(H,24,27)