(1-azanyl-1-oxidanylidene-propan-2-yl) 4-(hexadecylamino)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-(hexadecylamino)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C26H44N2O3 MolecularWeight: 432.63916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-24-19-17-23(18-20-24)26(30)31-22(2)25(27)29/h17-20,22,28H,3-16,21H2,1-2H3,(H2,27,29)