1-cyanoethyl 4-(hexadecylamino)benzoate

Systemtic Name: 1-cyanoethyl 4-(hexadecylamino)benzoate Openeye Name: 1-cyanoethyl 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid 1-cyanoethyl ester Formula: C26H42N2O2 MolecularWeight: 414.62388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(C)C#N

InChI

InChI=1S/C26H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-25-19-17-24(18-20-25)26(29)30-23(2)22-27/h17-20,23,28H,3-16,21H2,1-2H3