[(1R)-1-cyanoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-1-cyanoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [(1R)-1-cyanoethyl] ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@H](C#N)OC(=O)CCC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H17NO5/c1-11(10-17)22-16(19)6-4-13(18)12-3-5-14-15(9-12)21-8-2-7-20-14/h3,5,9,11H,2,4,6-8H2,1H3/t11-/m1/s1