hexadecyl 3-[[2-(4-cyanophenoxy)-3-oxidanylidene-3-phenyl-propanoyl]amino]-4-methoxy-benzoate

Systemtic Name: hexadecyl 3-[[2-(4-cyanophenoxy)-3-oxidanylidene-3-phenyl-propanoyl]amino]-4-methoxy-benzoate Openeye Name: hexadecyl 3-[[2-(4-cyanophenoxy)-3-oxo-3-phenyl-propanoyl]amino]-4-methoxy-benzoate CAS Name: 3-[[2-(4-cyanophenoxy)-1,3-dioxo-3-phenylpropyl]amino]-4-methoxybenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-(4-cyanophenoxy)-3-oxo-3-phenylpropanoyl]amino]-4-methoxybenzoate Traditional Name: 3-[[2-(4-cyanophenoxy)-3-keto-3-phenyl-propanoyl]amino]-4-methoxy-benzoic acid cetyl ester Formula: C40H50N2O6 MolecularWeight: 654.8348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C40H50N2O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-47-40(45)33-24-27-36(46-2)35(29-33)42-39(44)38(37(43)32-20-17-16-18-21-32)48-34-25-22-31(30-41)23-26-34/h16-18,20-27,29,38H,3-15,19,28H2,1-2H3,(H,42,44)