2-cyano-2-phenethyl-hex-5-enoic acid

Systemtic Name: 2-cyano-2-phenethyl-hex-5-enoic acid Openeye Name: 2-cyano-2-phenethyl-hex-5-enoic acid CAS Name: 2-cyano-2-phenethyl-5-hexenoic acid IUPAC Name: 2-cyano-2-phenethylhex-5-enoic acid Traditional Name: 2-cyano-2-phenethyl-hex-5-enoic acid Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(CCC1=CC=CC=C1)(C#N)C(=O)O

Isomeric SMILES

C=CCCC(CCC1=CC=CC=C1)(C#N)C(=O)O

InChI

InChI=1S/C15H17NO2/c1-2-3-10-15(12-16,14(17)18)11-9-13-7-5-4-6-8-13/h2,4-8H,1,3,9-11H2,(H,17,18)