2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]propanoic acid

Systemtic Name: 2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]propanoic acid Openeye Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolyl]propanoic acid CAS Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolinyl]propanoic acid IUPAC Name: 2-[1-(4-dimethylaminophenyl)isoquinolin-5-yl]propanoic acid Traditional Name: 2-[1-(4-dimethylaminophenyl)-5-isoquinolyl]propionic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)N(C)C)C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=C1C=CN=C2C3=CC=C(C=C3)N(C)C)C(=O)O

InChI

InChI=1S/C20H20N2O2/c1-13(20(23)24)16-5-4-6-18-17(16)11-12-21-19(18)14-7-9-15(10-8-14)22(2)3/h4-13H,1-3H3,(H,23,24)