ethyl 2-azanyl-3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate

Systemtic Name: ethyl 2-azanyl-3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate Openeye Name: ethyl 2-amino-3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]propanoate CAS Name: 2-amino-3-[4-[(3-ethyl-1-isoquinolinyl)amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate Traditional Name: 2-amino-3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]propionic acid ethyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)OCC)N

Isomeric SMILES

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)OCC)N

InChI

InChI=1S/C22H25N3O2/c1-3-17-14-16-7-5-6-8-19(16)21(24-17)25-18-11-9-15(10-12-18)13-20(23)22(26)27-4-2/h5-12,14,20H,3-4,13,23H2,1-2H3,(H,24,25)