[(E)-4-[4-(hexadecylamino)phenyl]carbonyloxybut-2-enyl] 4-(hexadecylamino)benzoate

Systemtic Name: [(E)-4-[4-(hexadecylamino)phenyl]carbonyloxybut-2-enyl] 4-(hexadecylamino)benzoate Openeye Name: [(E)-4-[4-(hexadecylamino)benzoyl]oxybut-2-enyl] 4-(hexadecylamino)benzoate CAS Name: 4-(hexadecylamino)benzoic acid [(E)-4-[[4-(hexadecylamino)phenyl]-oxomethoxy]but-2-enyl] ester IUPAC Name: [(E)-4-[4-(hexadecylamino)benzoyl]oxybut-2-enyl] 4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)benzoic acid [(E)-4-[4-(cetylamino)benzoyl]oxybut-2-enyl] ester Formula: C50H82N2O4 MolecularWeight: 775.19708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OCC=CCOC(=O)C2=CC=C(C=C2)NCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC/C=C/COC(=O)C2=CC=C(C=C2)NCCCCCCCCCCCCCCCC

InChI

InChI=1S/C50H82N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-41-51-47-37-33-45(34-38-47)49(53)55-43-31-32-44-56-50(54)46-35-39-48(40-36-46)52-42-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-40,51-52H,3-30,41-44H2,1-2H3/b32-31+