3-[[2-cyano-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3,5-ditert-butyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(3,5-ditert-butyl-4-hydroxy-phenyl)acryloyl]amino]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C25H28N2O4/c1-24(2,3)19-11-15(12-20(21(19)28)25(4,5)6)10-17(14-26)22(29)27-18-9-7-8-16(13-18)23(30)31/h7-13,28H,1-6H3,(H,27,29)(H,30,31)