tert-butyl 3-[(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbamoylamino]propanoate

Systemtic Name: tert-butyl 3-[(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)carbamoylamino]propanoate Openeye Name: tert-butyl 3-[(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)carbamoylamino]propanoate CAS Name: 3-[[oxo-[(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)amino]methyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)carbamoylamino]propanoate Traditional Name: 3-[(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)carbamoylamino]propionic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCCC(=O)OC(C)(C)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NCCC(=O)OC(C)(C)C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H31N3O4/c1-16-14-19-20(15-17(16)2)24(31)29(6)23(22(19)18-10-8-7-9-11-18)28-25(32)27-13-12-21(30)33-26(3,4)5/h7-11,14-15H,12-13H2,1-6H3,(H2,27,28,32)