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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propylamino)propanoic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propylamino)propanoic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propylamino)propanoic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propylamino)propanoic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propylamino)propionic acid Formula: C15H21NO4 MolecularWeight: 279.33154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(C)(C1=CC2=C(C=C1)OCCCO2)C(=O)O

Isomeric SMILES

CCCNC(C)(C1=CC2=C(C=C1)OCCCO2)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-3-7-16-15(2,14(17)18)11-5-6-12-13(10-11)20-9-4-8-19-12/h5-6,10,16H,3-4,7-9H2,1-2H3,(H,17,18)