2-azanyl-3-(2-methylphenoxy)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-3-(2-methylphenoxy)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-3-(2-methylphenoxy)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-amino-3-(2-methylphenoxy)propanoic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-3-(2-methylphenoxy)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-3-(2-methylphenoxy)propionic acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C(=O)O)N.CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1OCC(C(=O)O)N.CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO4.C10H13NO3/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;1-7-4-2-3-5-9(7)14-6-8(11)10(12)13/h2-6,10,14H,7-9H2,1H3,(H,16,17);2-5,8H,6,11H2,1H3,(H,12,13)