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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)propanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)propanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)propionic acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-14(13(16)17,15(2)3)10-5-6-11-12(9-10)19-8-4-7-18-11/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)