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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanoic acid Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanoic acid CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanoic acid IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propanoic acid Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC(=C2OC1)CNCCC(=O)O

Isomeric SMILES

C1COC2=CC=CC(=C2OC1)CNCCC(=O)O

InChI

InChI=1S/C13H17NO4/c15-12(16)5-6-14-9-10-3-1-4-11-13(10)18-8-2-7-17-11/h1,3-4,14H,2,5-9H2,(H,15,16)