butyl 4-[[(E)-2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: butyl 4-[[(E)-2-cyano-3-(5-methoxy-2-oxidanyl-phenyl)prop-2-enoyl]amino]benzoate Openeye Name: butyl 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxy-phenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-(2-hydroxy-5-methoxy-phenyl)acryloyl]amino]benzoic acid butyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-3-4-11-29-22(27)15-5-7-18(8-6-15)24-21(26)17(14-23)12-16-13-19(28-2)9-10-20(16)25/h5-10,12-13,25H,3-4,11H2,1-2H3,(H,24,26)/b17-12+