methyl 4-[[4-[2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C28H26N2O5 MolecularWeight: 470.51644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C28H26N2O5/c1-33-26-17-22(16-24(18-29)27(31)30-15-14-20-6-4-3-5-7-20)10-13-25(26)35-19-21-8-11-23(12-9-21)28(32)34-2/h3-13,16-17H,14-15,19H2,1-2H3,(H,30,31)