2-azanyl-2-(hydroxymethyl)propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxy-propanoic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; (2S)-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-ethoxy-propionic acid Formula: C25H36N2O8 MolecularWeight: 492.56194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)O.C(C(CO)(CO)N)O

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C21H25NO5.C4H11NO3/c1-2-25-20(21(23)24)15-16-7-9-17(10-8-16)26-13-11-22-12-14-27-19-6-4-3-5-18(19)22;5-4(1-6,2-7)3-8/h3-10,20H,2,11-15H2,1H3,(H,23,24);6-8H,1-3,5H2/t20-;/m0./s1