(1-methoxy-1-oxidanylidene-butan-2-yl) 3-fluoranyl-4-(hexadecylamino)benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-butan-2-yl) 3-fluoranyl-4-(hexadecylamino)benzoate Openeye Name: 1-methoxycarbonylpropyl 3-fluoro-4-(hexadecylamino)benzoate CAS Name: 3-fluoro-4-(hexadecylamino)benzoic acid (1-methoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-methoxy-1-oxobutan-2-yl) 3-fluoro-4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)-3-fluoro-benzoic acid 1-carbomethoxypropyl ester Formula: C28H46FNO4 MolecularWeight: 479.667543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46FNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-25-20-19-23(22-24(25)29)27(31)34-26(5-2)28(32)33-3/h19-20,22,26,30H,4-18,21H2,1-3H3