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

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(3-ethoxy-4-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=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)OCC)OC

InChI

InChI=1S/C22H22N2O5/c1-4-28-20-13-15(6-11-19(20)27-3)12-17(14-23)21(25)24-18-9-7-16(8-10-18)22(26)29-5-2/h6-13H,4-5H2,1-3H3,(H,24,25)/b17-12+