2-[1-(4-dimethylaminophenyl)-3-ethyl-isoquinolin-5-yl]ethanoic acid

Systemtic Name: 2-[1-(4-dimethylaminophenyl)-3-ethyl-isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(4-dimethylaminophenyl)-3-ethyl-5-isoquinolyl]acetic acid CAS Name: 2-[1-(4-dimethylaminophenyl)-3-ethyl-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-dimethylaminophenyl)-3-ethylisoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(4-dimethylaminophenyl)-3-ethyl-5-isoquinolyl]acetic acid Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC1=NC(=C2C=CC=C(C2=C1)CC(=O)O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H22N2O2/c1-4-16-13-19-15(12-20(24)25)6-5-7-18(19)21(22-16)14-8-10-17(11-9-14)23(2)3/h5-11,13H,4,12H2,1-3H3,(H,24,25)