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

Systemtic Name: ethyl 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]-2-[(2-ethyl-3-oxidanylidene-cyclopenten-1-yl)amino]propanoate Openeye Name: ethyl 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]-2-[(2-ethyl-3-oxo-cyclopenten-1-yl)amino]propanoate CAS Name: 3-[4-[(3-ethyl-1-isoquinolinyl)amino]phenyl]-2-[(2-ethyl-3-oxo-1-cyclopentenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]-2-[(2-ethyl-3-oxocyclopenten-1-yl)amino]propanoate Traditional Name: 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]-2-[(2-ethyl-3-keto-cyclopenten-1-yl)amino]propionic acid ethyl ester Formula: C29H33N3O3 MolecularWeight: 471.59062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)OCC)NC4=C(C(=O)CC4)CC

Isomeric SMILES

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(C(=O)OCC)NC4=C(C(=O)CC4)CC

InChI

InChI=1S/C29H33N3O3/c1-4-21-18-20-9-7-8-10-24(20)28(30-21)31-22-13-11-19(12-14-22)17-26(29(34)35-6-3)32-25-15-16-27(33)23(25)5-2/h7-14,18,26,32H,4-6,15-17H2,1-3H3,(H,30,31)