ethyl 4-[[3-(dicyanomethyl)-4-ethoxy-4-oxidanylidene-butyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(dicyanomethyl)-4-ethoxy-4-oxidanylidene-butyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate Openeye Name: ethyl 4-[tert-butoxycarbonyl-[3-(dicyanomethyl)-4-ethoxy-4-oxo-butyl]amino]benzoate CAS Name: 4-[[3-(dicyanomethyl)-4-ethoxy-4-oxobutyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(dicyanomethyl)-4-ethoxy-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate Traditional Name: 4-[tert-butoxycarbonyl-(3-carbethoxy-4,4-dicyano-butyl)amino]benzoic acid ethyl ester Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O6/c1-6-30-20(27)16-8-10-18(11-9-16)26(22(29)32-23(3,4)5)13-12-19(17(14-24)15-25)21(28)31-7-2/h8-11,17,19H,6-7,12-13H2,1-5H3