(1-methoxy-1-oxidanylidene-butan-2-yl) 4-(16-bromanylhexadecylamino)benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-butan-2-yl) 4-(16-bromanylhexadecylamino)benzoate Openeye Name: 1-methoxycarbonylpropyl 4-(16-bromohexadecylamino)benzoate CAS Name: 4-(16-bromohexadecylamino)benzoic acid (1-methoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-methoxy-1-oxobutan-2-yl) 4-(16-bromohexadecylamino)benzoate Traditional Name: 4-(16-bromohexadecylamino)benzoic acid 1-carbomethoxypropyl ester Formula: C28H46BrNO4 MolecularWeight: 540.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

CCC(C(=O)OC)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C28H46BrNO4/c1-3-26(28(32)33-2)34-27(31)24-18-20-25(21-19-24)30-23-17-15-13-11-9-7-5-4-6-8-10-12-14-16-22-29/h18-21,26,30H,3-17,22-23H2,1-2H3