4-(2-methanoyl-5-propoxy-phenoxy)butanenitrile

Systemtic Name: 4-(2-methanoyl-5-propoxy-phenoxy)butanenitrile Openeye Name: 4-(2-formyl-5-propoxy-phenoxy)butanenitrile CAS Name: 4-(2-formyl-5-propoxyphenoxy)butanenitrile IUPAC Name: 4-(2-formyl-5-propoxyphenoxy)butanenitrile Traditional Name: 4-(2-formyl-5-propoxy-phenoxy)butyronitrile Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=O)OCCCC#N

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C=O)OCCCC#N

InChI

InChI=1S/C14H17NO3/c1-2-8-17-13-6-5-12(11-16)14(10-13)18-9-4-3-7-15/h5-6,10-11H,2-4,8-9H2,1H3