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

Systemtic Name: 2-[1-(4-aminophenyl)-3-ethyl-isoquinolin-5-yl]ethanoic acid Openeye Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolyl]acetic acid CAS Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolinyl]acetic acid IUPAC Name: 2-[1-(4-aminophenyl)-3-ethylisoquinolin-5-yl]acetic acid Traditional Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolyl]acetic acid Formula: C19H18N2O2 MolecularWeight: 306.35842

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2/c1-2-15-11-17-13(10-18(22)23)4-3-5-16(17)19(21-15)12-6-8-14(20)9-7-12/h3-9,11H,2,10,20H2,1H3,(H,22,23)