3-[[3-[3-[(4-chlorophenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: 3-[[3-[3-[(4-chlorophenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 3-[[3-[3-[(4-chlorophenyl)methoxy]-4-methoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 3-[[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 3-[[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 3-[[3-[3-(4-chlorobenzyl)oxy-4-methoxy-phenyl]-2-cyano-acryloyl]amino]benzoate Formula: C25H18ClN2O5- MolecularWeight: 461.87382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)[O-])OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)[O-])OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H19ClN2O5/c1-32-22-10-7-17(12-23(22)33-15-16-5-8-20(26)9-6-16)11-19(14-27)24(29)28-21-4-2-3-18(13-21)25(30)31/h2-13H,15H2,1H3,(H,28,29)(H,30,31)/p-1