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

Systemtic Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]isoquinolin-5-yl]ethanoate Openeye Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolyl]acetate CAS Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolinyl]acetate IUPAC Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]isoquinolin-5-yl]acetate Traditional Name: 2-[3-ethyl-1-[4-(methylamino)phenyl]-5-isoquinolyl]acetate Formula: C20H19N2O2- MolecularWeight: 319.37706

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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)/p-1