2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid

Systemtic Name: 2-[[[2-(6-azanylpyridin-3-yl)-2-oxidanyl-ethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Openeye Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]chromane-6-carboxylic acid CAS Name: 2-[[[2-(6-amino-3-pyridinyl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid IUPAC Name: 2-[[[2-(6-aminopyridin-3-yl)-2-hydroxyethyl]amino]methyl]-3,4-dihydro-2H-chromene-6-carboxylic acid Traditional Name: 2-[[[2-(6-amino-3-pyridyl)-2-hydroxy-ethyl]amino]methyl]chroman-6-carboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)OC1CNCC(C3=CN=C(C=C3)N)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)OC1CNCC(C3=CN=C(C=C3)N)O

InChI

InChI=1S/C18H21N3O4/c19-17-6-3-13(8-21-17)15(22)10-20-9-14-4-1-11-7-12(18(23)24)2-5-16(11)25-14/h2-3,5-8,14-15,20,22H,1,4,9-10H2,(H2,19,21)(H,23,24)