(3-ethoxy-3-oxidanylidene-propyl) 4-(16-bromanylhexadecylamino)benzoate

Systemtic Name: (3-ethoxy-3-oxidanylidene-propyl) 4-(16-bromanylhexadecylamino)benzoate Openeye Name: (3-ethoxy-3-oxo-propyl) 4-(16-bromohexadecylamino)benzoate CAS Name: 4-(16-bromohexadecylamino)benzoic acid (3-ethoxy-3-oxopropyl) ester IUPAC Name: (3-ethoxy-3-oxopropyl) 4-(16-bromohexadecylamino)benzoate Traditional Name: 4-(16-bromohexadecylamino)benzoic acid (3-ethoxy-3-keto-propyl) ester Formula: C28H46BrNO4 MolecularWeight: 540.57314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

Isomeric SMILES

CCOC(=O)CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr

InChI

InChI=1S/C28H46BrNO4/c1-2-33-27(31)21-24-34-28(32)25-17-19-26(20-18-25)30-23-16-14-12-10-8-6-4-3-5-7-9-11-13-15-22-29/h17-20,30H,2-16,21-24H2,1H3