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

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 4-(hexadecylamino)benzoate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C28H45NO4 MolecularWeight: 459.6612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O/C=C/C(=O)OCC

InChI

InChI=1S/C28H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-26-20-18-25(19-21-26)28(31)33-24-22-27(30)32-4-2/h18-22,24,29H,3-17,23H2,1-2H3/b24-22+