[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(16-bromanylhexadecylamino)benzoate

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(16-bromanylhexadecylamino)benzoate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 4-(16-bromohexadecylamino)benzoate CAS Name: 4-(16-bromohexadecylamino)benzoic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 4-(16-bromohexadecylamino)benzoate Traditional Name: 4-(16-bromohexadecylamino)benzoic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C28H44BrNO4 MolecularWeight: 538.55726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44BrNO4/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/h17-21,24,30H,2-16,22-23H2,1H3/b24-21+