3-(3-cyanopropoxy)-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-(3-cyanopropoxy)-4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]benzoic acid Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-(3-cyanopropoxy)benzoic acid CAS Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(3-cyanopropoxy)benzoic acid IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3-(3-cyanopropoxy)benzoic acid Traditional Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3-(3-cyanopropoxy)benzoic acid Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OCCCC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=C(C=C(C=C2)C(=O)O)OCCCC#N

InChI

InChI=1S/C23H25NO6/c1-3-6-19-20(10-9-18(15(2)25)22(19)26)30-14-17-8-7-16(23(27)28)13-21(17)29-12-5-4-11-24/h7-10,13,26H,3-6,12,14H2,1-2H3,(H,27,28)