cyanomethyl 4-(hexadecan-2-ylamino)benzoate

Systemtic Name: cyanomethyl 4-(hexadecan-2-ylamino)benzoate Openeye Name: cyanomethyl 4-(1-methylpentadecylamino)benzoate CAS Name: 4-(hexadecan-2-ylamino)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(hexadecan-2-ylamino)benzoate Traditional Name: 4-(1-methylpentadecylamino)benzoic acid cyanomethyl ester Formula: C25H40N2O2 MolecularWeight: 400.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)OCC#N

Isomeric SMILES

CCCCCCCCCCCCCCC(C)NC1=CC=C(C=C1)C(=O)OCC#N

InChI

InChI=1S/C25H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(2)27-24-18-16-23(17-19-24)25(28)29-21-20-26/h16-19,22,27H,3-15,21H2,1-2H3