(phenylmethyl) (E)-2-cyano-2-(3-phenylazanylpropyl)hex-3-enoate

Systemtic Name: (phenylmethyl) (E)-2-cyano-2-(3-phenylazanylpropyl)hex-3-enoate Openeye Name: benzyl (E)-2-(3-anilinopropyl)-2-cyano-hex-3-enoate CAS Name: (E)-2-(3-anilinopropyl)-2-cyano-3-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-2-(3-anilinopropyl)-2-cyanohex-3-enoate Traditional Name: (E)-2-(3-anilinopropyl)-2-cyano-hex-3-enoic acid benzyl ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(CCCNC1=CC=CC=C1)(C#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC/C=C/C(CCCNC1=CC=CC=C1)(C#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26N2O2/c1-2-3-15-23(19-24,16-10-17-25-21-13-8-5-9-14-21)22(26)27-18-20-11-6-4-7-12-20/h3-9,11-15,25H,2,10,16-18H2,1H3/b15-3+