cyanomethyl 4-(5,5-dimethylhexylamino)benzoate

Systemtic Name: cyanomethyl 4-(5,5-dimethylhexylamino)benzoate Openeye Name: cyanomethyl 4-(5,5-dimethylhexylamino)benzoate CAS Name: 4-(5,5-dimethylhexylamino)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(5,5-dimethylhexylamino)benzoate Traditional Name: 4-(5,5-dimethylhexylamino)benzoic acid cyanomethyl ester Formula: C17H24N2O2 MolecularWeight: 288.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCNC1=CC=C(C=C1)C(=O)OCC#N

Isomeric SMILES

CC(C)(C)CCCCNC1=CC=C(C=C1)C(=O)OCC#N

InChI

InChI=1S/C17H24N2O2/c1-17(2,3)10-4-5-12-19-15-8-6-14(7-9-15)16(20)21-13-11-18/h6-9,19H,4-5,10,12-13H2,1-3H3