[(2-methylpropan-2-yl)oxycarbonylamino] 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate

Systemtic Name: [(2-methylpropan-2-yl)oxycarbonylamino] 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate Openeye Name: (tert-butoxycarbonylamino) 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]propanoate CAS Name: 3-[4-[(3-ethyl-1-isoquinolinyl)amino]phenyl]propanoic acid [[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(2-methylpropan-2-yl)oxycarbonylamino] 3-[4-[(3-ethylisoquinolin-1-yl)amino]phenyl]propanoate Traditional Name: 3-[4-[(3-ethyl-1-isoquinolyl)amino]phenyl]propionic acid (tert-butoxycarbonylamino) ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CCC(=O)ONC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CCC(=O)ONC(=O)OC(C)(C)C

InChI

InChI=1S/C25H29N3O4/c1-5-19-16-18-8-6-7-9-21(18)23(26-19)27-20-13-10-17(11-14-20)12-15-22(29)32-28-24(30)31-25(2,3)4/h6-11,13-14,16H,5,12,15H2,1-4H3,(H,26,27)(H,28,30)