2-(5-azanyl-1-ethyl-isoquinolin-3-yl)ethanoic acid

Systemtic Name: 2-(5-azanyl-1-ethyl-isoquinolin-3-yl)ethanoic acid Openeye Name: 2-(5-amino-1-ethyl-3-isoquinolyl)acetic acid CAS Name: 2-(5-amino-1-ethyl-3-isoquinolinyl)acetic acid IUPAC Name: 2-(5-amino-1-ethylisoquinolin-3-yl)acetic acid Traditional Name: 2-(5-amino-1-ethyl-3-isoquinolyl)acetic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC=C(C2=CC(=N1)CC(=O)O)N

Isomeric SMILES

CCC1=C2C=CC=C(C2=CC(=N1)CC(=O)O)N

InChI

InChI=1S/C13H14N2O2/c1-2-12-9-4-3-5-11(14)10(9)6-8(15-12)7-13(16)17/h3-6H,2,7,14H2,1H3,(H,16,17)