3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]-2-(3,4-dihydro-2H-chromen-6-yl)propanoic acid

Systemtic Name: 3-[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]-2-(3,4-dihydro-2H-chromen-6-yl)propanoic acid Openeye Name: 3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]-2-chroman-6-yl-propanoic acid CAS Name: 3-[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]-2-(3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acid IUPAC Name: 3-[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]-2-(3,4-dihydro-2H-chromen-6-yl)propanoic acid Traditional Name: 3-[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]-2-chroman-6-yl-propionic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(CNCC(C3=CN=C(C=C3)N)O)C(=O)O)OC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(CNCC(C3=CN=C(C=C3)N)O)C(=O)O)OC1

InChI

InChI=1S/C19H23N3O4/c20-18-6-4-14(9-22-18)16(23)11-21-10-15(19(24)25)12-3-5-17-13(8-12)2-1-7-26-17/h3-6,8-9,15-16,21,23H,1-2,7,10-11H2,(H2,20,22)(H,24,25)