2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propanoic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methylamino)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)(C(=O)O)NC

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)(C(=O)O)NC

InChI

InChI=1S/C13H17NO4/c1-13(14-2,12(15)16)9-4-5-10-11(8-9)18-7-3-6-17-10/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)