4-[1-cyano-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[3-ethoxy-4-(p-tolylmethoxy)phenyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[3-ethoxy-4-(4-methylbenzyl)oxy-phenyl]vinyl]benzoic acid Formula: C26H23NO4 MolecularWeight: 413.46512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO4/c1-3-30-25-15-20(8-13-24(25)31-17-19-6-4-18(2)5-7-19)14-23(16-27)21-9-11-22(12-10-21)26(28)29/h4-15H,3,17H2,1-2H3,(H,28,29)