ethyl 2-[4-(cyanomethyl)phenyl]benzoate; hexane

Systemtic Name: ethyl 2-[4-(cyanomethyl)phenyl]benzoate; hexane Openeye Name: ethyl 2-[4-(cyanomethyl)phenyl]benzoate; hexane CAS Name: 2-[4-(cyanomethyl)phenyl]benzoic acid ethyl ester; hexane IUPAC Name: ethyl 2-[4-(cyanomethyl)phenyl]benzoate; hexane Traditional Name: 2-[4-(cyanomethyl)phenyl]benzoic acid ethyl ester; n-hexane Formula: C23H29NO2 MolecularWeight: 351.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.CCOC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCC.CCOC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H15NO2.C6H14/c1-2-20-17(19)16-6-4-3-5-15(16)14-9-7-13(8-10-14)11-12-18;1-3-5-6-4-2/h3-10H,2,11H2,1H3;3-6H2,1-2H3