heptan-2-yl 4-acetyloxy-2-cyano-benzoate

Systemtic Name: heptan-2-yl 4-acetyloxy-2-cyano-benzoate Openeye Name: 1-methylhexyl 4-acetoxy-2-cyano-benzoate CAS Name: 4-acetyloxy-2-cyanobenzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 4-acetyloxy-2-cyanobenzoate Traditional Name: 4-acetoxy-2-cyano-benzoic acid 1-methylhexyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)C#N

Isomeric SMILES

CCCCCC(C)OC(=O)C1=C(C=C(C=C1)OC(=O)C)C#N

InChI

InChI=1S/C17H21NO4/c1-4-5-6-7-12(2)21-17(20)16-9-8-15(22-13(3)19)10-14(16)11-18/h8-10,12H,4-7H2,1-3H3