ethyl 2-(dicyanomethyl)butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: ethyl 2-(dicyanomethyl)butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: ethyl 4-(tert-butoxycarbonylamino)benzoate; ethyl 2-(dicyanomethyl)butanoate CAS Name: 2-(dicyanomethyl)butanoic acid ethyl ester; 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-(dicyanomethyl)butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid ethyl ester; 2-(dicyanomethyl)butyric acid ethyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C#N)C#N)C(=O)OCC.CCOC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(C#N)C#N)C(=O)OCC.CCOC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H19NO4.C9H12N2O2/c1-5-18-12(16)10-6-8-11(9-7-10)15-13(17)19-14(2,3)4;1-3-8(7(5-10)6-11)9(12)13-4-2/h6-9H,5H2,1-4H3,(H,15,17);7-8H,3-4H2,1-2H3