3-(3-cyanophenyl)-5-[(4-ethyl-3-oxidanyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-(3-cyanophenyl)-5-[(4-ethyl-3-oxidanyl-phenoxy)methyl]benzoic acid Openeye Name: 3-(3-cyanophenyl)-5-[(4-ethyl-3-hydroxy-phenoxy)methyl]benzoic acid CAS Name: 3-(3-cyanophenyl)-5-[(4-ethyl-3-hydroxyphenoxy)methyl]benzoic acid IUPAC Name: 3-(3-cyanophenyl)-5-[(4-ethyl-3-hydroxyphenoxy)methyl]benzoic acid Traditional Name: 3-(3-cyanophenyl)-5-[(4-ethyl-3-hydroxy-phenoxy)methyl]benzoic acid Formula: C23H19NO4 MolecularWeight: 373.40126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N)O

Isomeric SMILES

CCC1=C(C=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC=CC(=C3)C#N)O

InChI

InChI=1S/C23H19NO4/c1-2-17-6-7-21(12-22(17)25)28-14-16-9-19(11-20(10-16)23(26)27)18-5-3-4-15(8-18)13-24/h3-12,25H,2,14H2,1H3,(H,26,27)