ethyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OCC)OC

InChI

InChI=1S/C22H22N2O5/c1-4-28-19-11-10-15(13-20(19)27-3)12-16(14-23)21(25)24-18-9-7-6-8-17(18)22(26)29-5-2/h6-13H,4-5H2,1-3H3,(H,24,25)/b16-12+