3-[[2-cyano-3-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(3-ethoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-allyl-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H20N2O5/c1-3-6-15-9-14(11-19(20(15)25)29-4-2)10-17(13-23)21(26)24-18-8-5-7-16(12-18)22(27)28/h3,5,7-12,25H,1,4,6H2,2H3,(H,24,26)(H,27,28)