propyl 4-(cyanomethyl)-2-propoxy-benzoate

Systemtic Name: propyl 4-(cyanomethyl)-2-propoxy-benzoate Openeye Name: propyl 4-(cyanomethyl)-2-propoxy-benzoate CAS Name: 4-(cyanomethyl)-2-propoxybenzoic acid propyl ester IUPAC Name: propyl 4-(cyanomethyl)-2-propoxybenzoate Traditional Name: 4-(cyanomethyl)-2-propoxy-benzoic acid propyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-3-9-18-14-11-12(7-8-16)5-6-13(14)15(17)19-10-4-2/h5-6,11H,3-4,7,9-10H2,1-2H3