tert-butyl 4-[4-[[(E)-2-cyanoethenyl]-(cyanomethyl)amino]butan-2-yl]benzoate

Systemtic Name: tert-butyl 4-[4-[[(E)-2-cyanoethenyl]-(cyanomethyl)amino]butan-2-yl]benzoate Openeye Name: tert-butyl 4-[3-[cyanomethyl-[(E)-2-cyanovinyl]amino]-1-methyl-propyl]benzoate CAS Name: 4-[4-[[(E)-2-cyanoethenyl]-(cyanomethyl)amino]butan-2-yl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[(E)-2-cyanoethenyl]-(cyanomethyl)amino]butan-2-yl]benzoate Traditional Name: 4-[3-[cyanomethyl-[(E)-2-cyanovinyl]amino]-1-methyl-propyl]benzoic acid tert-butyl ester Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-16(10-14-23(15-12-22)13-5-11-21)17-6-8-18(9-7-17)19(24)25-20(2,3)4/h5-9,13,16H,10,14-15H2,1-4H3/b13-5+