3-[[3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(3-bromanyl-4-butan-2-yloxy-5-ethoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromo-4-butan-2-yloxy-5-ethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(3-bromo-5-ethoxy-4-sec-butoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC

Isomeric SMILES

CCC(C)OC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC

InChI

InChI=1S/C23H23BrN2O5/c1-4-14(3)31-21-19(24)10-15(11-20(21)30-5-2)9-17(13-25)22(27)26-18-8-6-7-16(12-18)23(28)29/h6-12,14H,4-5H2,1-3H3,(H,26,27)(H,28,29)