3-[[3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-[4-[(4-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-[4-(4-bromobenzyl)oxy-3-ethoxy-phenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C26H21BrN2O5 MolecularWeight: 521.35934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H21BrN2O5/c1-2-33-24-13-18(8-11-23(24)34-16-17-6-9-21(27)10-7-17)12-20(15-28)25(30)29-22-5-3-4-19(14-22)26(31)32/h3-14H,2,16H2,1H3,(H,29,30)(H,31,32)