3-[4-(isoquinolin-1-ylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 3-[4-(isoquinolin-1-ylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(1-isoquinolylamino)phenyl]propanoate CAS Name: 3-[4-(1-isoquinolinylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoate IUPAC Name: 3-[4-(isoquinolin-1-ylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(1-isoquinolylamino)phenyl]propionate Formula: C23H24N3O4- MolecularWeight: 406.45436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC2=NC=CC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-23(2,3)30-22(29)26-19(21(27)28)14-15-8-10-17(11-9-15)25-20-18-7-5-4-6-16(18)12-13-24-20/h4-13,19H,14H2,1-3H3,(H,24,25)(H,26,29)(H,27,28)/p-1