2-isoquinolin-5-yl-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-isoquinolin-5-yl-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-tert-butoxy-2-(5-isoquinolyl)-4-oxo-butanoic acid CAS Name: 2-(5-isoquinolinyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid IUPAC Name: 2-isoquinolin-5-yl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid Traditional Name: 4-tert-butoxy-2-(5-isoquinolyl)-4-keto-butyric acid Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(C1=CC=CC2=C1C=CN=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(C1=CC=CC2=C1C=CN=C2)C(=O)O

InChI

InChI=1S/C17H19NO4/c1-17(2,3)22-15(19)9-14(16(20)21)13-6-4-5-11-10-18-8-7-12(11)13/h4-8,10,14H,9H2,1-3H3,(H,20,21)