(5-methyloxolan-2-yl) 4-(hexadecylamino)benzoate

Systemtic Name: (5-methyloxolan-2-yl) 4-(hexadecylamino)benzoate Openeye Name: (5-methyltetrahydrofuran-2-yl) 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid (5-methyl-2-oxolanyl) ester IUPAC Name: (5-methyloxolan-2-yl) 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid (5-methyltetrahydrofuran-2-yl) ester Formula: C28H47NO3 MolecularWeight: 445.67768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2CCC(O2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC2CCC(O2)C

InChI

InChI=1S/C28H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-26-20-18-25(19-21-26)28(30)32-27-22-17-24(2)31-27/h18-21,24,27,29H,3-17,22-23H2,1-2H3