2-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[6-[4-(2-azanylpropan-2-yl)phenyl]isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]acetic acid CAS Name: 2-[6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinyl]acetic acid IUPAC Name: 2-[6-[4-(2-aminopropan-2-yl)phenyl]isoquinolin-5-yl]acetic acid Traditional Name: 2-[6-[4-(1-amino-1-methyl-ethyl)phenyl]-5-isoquinolyl]acetic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)CC(=O)O)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)CC(=O)O)N

InChI

InChI=1S/C20H20N2O2/c1-20(2,21)15-6-3-13(4-7-15)16-8-5-14-12-22-10-9-17(14)18(16)11-19(23)24/h3-10,12H,11,21H2,1-2H3,(H,23,24)