2-(1-butan-2-ylisoquinolin-5-yl)propanoic acid

Systemtic Name: 2-(1-butan-2-ylisoquinolin-5-yl)propanoic acid Openeye Name: 2-(1-sec-butyl-5-isoquinolyl)propanoic acid CAS Name: 2-(1-butan-2-yl-5-isoquinolinyl)propanoic acid IUPAC Name: 2-(1-butan-2-ylisoquinolin-5-yl)propanoic acid Traditional Name: 2-(1-sec-butyl-5-isoquinolyl)propionic acid Formula: C16H19NO2 MolecularWeight: 257.32756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC=CC2=C1C=CC=C2C(C)C(=O)O

Isomeric SMILES

CCC(C)C1=NC=CC2=C1C=CC=C2C(C)C(=O)O

InChI

InChI=1S/C16H19NO2/c1-4-10(2)15-14-7-5-6-12(11(3)16(18)19)13(14)8-9-17-15/h5-11H,4H2,1-3H3,(H,18,19)