2-[2-cyano-4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[2-cyano-4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-[2-cyano-4-(dimethylamino)phenyl]acetic acid CAS Name: 2-[2-cyano-4-(dimethylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[2-cyano-4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-[2-cyano-4-(dimethylamino)phenyl]acetic acid Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=C(C=C(C=C1)N(C)C)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=C(C=C(C=C1)N(C)C)C#N)C(=O)O

InChI

InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)18-13(14(20)21)12-7-6-11(19(4)5)8-10(12)9-17/h6-8,13H,1-5H3,(H,18,22)(H,20,21)