2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)ethanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)ethanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)acetic acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCC(=O)O

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCC(=O)O

InChI

InChI=1S/C12H15NO4/c14-11(15)8-13-7-9-3-1-4-10-12(9)17-6-2-5-16-10/h1,3-4,13H,2,5-8H2,(H,14,15)