ethyl 4-[[(E)-2-cyano-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)acryloyl]amino]benzoic acid ethyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-4-27-21(26)16-5-7-18(8-6-16)23-20(25)17(12-22)11-15-9-13(2)19(24)14(3)10-15/h5-11,24H,4H2,1-3H3,(H,23,25)/b17-11+