methyl 2-[1-[2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoyl]piperidin-4-yl]oxyethanoate

Systemtic Name: methyl 2-[1-[2-(8-cyano-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)ethanoyl]piperidin-4-yl]oxyethanoate Openeye Name: methyl 2-[[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-1-oxoethyl]-4-piperidinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(8-cyano-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[2-(8-cyano-5-keto-2,3-dihydro-1,4-benzoxazepin-4-yl)acetyl]-4-piperidyl]oxy]acetic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1CCN(CC1)C(=O)CN2CCOC3=C(C2=O)C=CC(=C3)C#N

Isomeric SMILES

COC(=O)COC1CCN(CC1)C(=O)CN2CCOC3=C(C2=O)C=CC(=C3)C#N

InChI

InChI=1S/C20H23N3O6/c1-27-19(25)13-29-15-4-6-22(7-5-15)18(24)12-23-8-9-28-17-10-14(11-21)2-3-16(17)20(23)26/h2-3,10,15H,4-9,12-13H2,1H3