azanyl 3-[4-[(3-phenylisoquinolin-1-yl)amino]phenyl]propanoate

Systemtic Name: azanyl 3-[4-[(3-phenylisoquinolin-1-yl)amino]phenyl]propanoate Openeye Name: amino 3-[4-[(3-phenyl-1-isoquinolyl)amino]phenyl]propanoate CAS Name: 3-[4-[(3-phenyl-1-isoquinolinyl)amino]phenyl]propanoic acid amino ester IUPAC Name: amino 3-[4-[(3-phenylisoquinolin-1-yl)amino]phenyl]propanoate Traditional Name: 3-[4-[(3-phenyl-1-isoquinolyl)amino]phenyl]propionic acid amino ester Formula: C24H21N3O2 MolecularWeight: 383.44244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)CCC(=O)ON

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)CCC(=O)ON

InChI

InChI=1S/C24H21N3O2/c25-29-23(28)15-12-17-10-13-20(14-11-17)26-24-21-9-5-4-8-19(21)16-22(27-24)18-6-2-1-3-7-18/h1-11,13-14,16H,12,15,25H2,(H,26,27)