2-oxidanylpropyl 4-(hexadecylamino)benzoate

Systemtic Name: 2-oxidanylpropyl 4-(hexadecylamino)benzoate Openeye Name: 2-hydroxypropyl 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid 2-hydroxypropyl ester IUPAC Name: 2-hydroxypropyl 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid 2-hydroxypropyl ester Formula: C26H45NO3 MolecularWeight: 419.6404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC(C)O

InChI

InChI=1S/C26H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-25-19-17-24(18-20-25)26(29)30-22-23(2)28/h17-20,23,27-28H,3-16,21-22H2,1-2H3