(2S)-2-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: (2S)-2-azanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: (2S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: (2S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: (2S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: (2S)-2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCCO2)N

InChI

InChI=1S/C12H16N2O3/c1-8(13)12(15)14-9-3-4-10-11(7-9)17-6-2-5-16-10/h3-4,7-8H,2,5-6,13H2,1H3,(H,14,15)/t8-/m0/s1