methyl 3-[8-(8-azidooctoxy)-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoate

Systemtic Name: methyl 3-[8-(8-azidooctoxy)-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoate Openeye Name: methyl 3-[8-(8-azidooctoxy)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoate CAS Name: 3-[8-(8-azidooctoxy)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[8-(8-azidooctoxy)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoate Traditional Name: 3-[8-(8-azidooctoxy)-1-keto-4,5-dihydro-3H-2-benzazepin-2-yl]propionic acid methyl ester Formula: C22H32N4O4 MolecularWeight: 416.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCCC2=C(C1=O)C=C(C=C2)OCCCCCCCCN=[N+]=[N-]

Isomeric SMILES

COC(=O)CCN1CCCC2=C(C1=O)C=C(C=C2)OCCCCCCCCN=[N+]=[N-]

InChI

InChI=1S/C22H32N4O4/c1-29-21(27)12-15-26-14-8-9-18-10-11-19(17-20(18)22(26)28)30-16-7-5-3-2-4-6-13-24-25-23/h10-11,17H,2-9,12-16H2,1H3