tert-butyl (E)-2-cyano-2-(3-phenylazanylpropyl)hex-3-enoate

Systemtic Name: tert-butyl (E)-2-cyano-2-(3-phenylazanylpropyl)hex-3-enoate Openeye Name: tert-butyl (E)-2-(3-anilinopropyl)-2-cyano-hex-3-enoate CAS Name: (E)-2-(3-anilinopropyl)-2-cyano-3-hexenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-(3-anilinopropyl)-2-cyanohex-3-enoate Traditional Name: (E)-2-(3-anilinopropyl)-2-cyano-hex-3-enoic acid tert-butyl ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(CCCNC1=CC=CC=C1)(C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC/C=C/C(CCCNC1=CC=CC=C1)(C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O2/c1-5-6-13-20(16-21,18(23)24-19(2,3)4)14-10-15-22-17-11-8-7-9-12-17/h6-9,11-13,22H,5,10,14-15H2,1-4H3/b13-6+