tert-butyl 4-[(E)-5-cyanopent-1-enyl]benzoate

Systemtic Name: tert-butyl 4-[(E)-5-cyanopent-1-enyl]benzoate Openeye Name: tert-butyl 4-[(E)-5-cyanopent-1-enyl]benzoate CAS Name: 4-[(E)-5-cyanopent-1-enyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-5-cyanopent-1-enyl]benzoate Traditional Name: 4-[(E)-5-cyanopent-1-enyl]benzoic acid tert-butyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-17(2,3)20-16(19)15-11-9-14(10-12-15)8-6-4-5-7-13-18/h6,8-12H,4-5,7H2,1-3H3/b8-6+