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

Systemtic Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolyl]acetic acid CAS Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolinyl]acetic acid IUPAC Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetic acid Traditional Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolyl]acetic acid Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O2/c1-3-15-12-18-14(11-19(23)24)5-4-6-17(18)20(22-15)13-7-9-16(21-2)10-8-13/h4-10,12,21H,3,11H2,1-2H3,(H,23,24)