ethyl 4-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-1-oxo-3-(3-phenoxyphenyl)prop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(3-phenoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(3-phenoxyphenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)OC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H20N2O4/c1-2-30-25(29)19-11-13-21(14-12-19)27-24(28)20(17-26)15-18-7-6-10-23(16-18)31-22-8-4-3-5-9-22/h3-16H,2H2,1H3,(H,27,28)/b20-15+