tert-butyl 4-[1-[1-cyanoethenyl(cyanomethyl)amino]pentan-3-yl]benzoate

Systemtic Name: tert-butyl 4-[1-[1-cyanoethenyl(cyanomethyl)amino]pentan-3-yl]benzoate Openeye Name: tert-butyl 4-[3-[cyanomethyl(1-cyanovinyl)amino]-1-ethyl-propyl]benzoate CAS Name: 4-[1-[1-cyanoethenyl(cyanomethyl)amino]pentan-3-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[1-cyanoethenyl(cyanomethyl)amino]pentan-3-yl]benzoate Traditional Name: 4-[3-[cyanomethyl(1-cyanovinyl)amino]-1-ethyl-propyl]benzoic acid tert-butyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN(CC#N)C(=C)C#N)C1=CC=C(C=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CCN(CC#N)C(=C)C#N)C1=CC=C(C=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O2/c1-6-17(11-13-24(14-12-22)16(2)15-23)18-7-9-19(10-8-18)20(25)26-21(3,4)5/h7-10,17H,2,6,11,13-14H2,1,3-5H3