2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-[2-(phenethylamino)ethanoyloxy]propanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[1-oxo-2-(phenethylamino)ethoxy]propanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-[2-(phenethylamino)acetyl]oxypropanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-[2-(phenethylamino)acetyl]oxypropionic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

CC(C(=O)O)OC(=O)CNCCC1=CC=CC=C1.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C13H17NO4.C9H11NO3/c1-10(13(16)17)18-12(15)9-14-8-7-11-5-3-2-4-6-11;10-8(9(12)13)5-6-1-3-7(11)4-2-6/h2-6,10,14H,7-9H2,1H3,(H,16,17);1-4,8,11H,5,10H2,(H,12,13)