ethyl 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]ethanoate Openeye Name: ethyl 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]acetate CAS Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]acetate Traditional Name: 2-[[(S)-cyano(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]amino]acetic acid ethyl ester Formula: C14H16N2O4 MolecularWeight: 276.28784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(C#N)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCOC(=O)CN[C@H](C#N)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C14H16N2O4/c1-2-18-14(17)9-16-11(8-15)10-3-4-12-13(7-10)20-6-5-19-12/h3-4,7,11,16H,2,5-6,9H2,1H3/t11-/m1/s1