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

Systemtic Name: 2-[1-(4-aminophenyl)-3-ethyl-isoquinolin-5-yl]ethanoate Openeye Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolyl]acetate CAS Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolinyl]acetate IUPAC Name: 2-[1-(4-aminophenyl)-3-ethylisoquinolin-5-yl]acetate Traditional Name: 2-[1-(4-aminophenyl)-3-ethyl-5-isoquinolyl]acetate Formula: C19H17N2O2- MolecularWeight: 305.35048

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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)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)/p-1