4-[3-(4-cyano-2-oxidanyl-phenyl)propyl]benzoic acid

Systemtic Name: 4-[3-(4-cyano-2-oxidanyl-phenyl)propyl]benzoic acid Openeye Name: 4-[3-(4-cyano-2-hydroxy-phenyl)propyl]benzoic acid CAS Name: 4-[3-(4-cyano-2-hydroxyphenyl)propyl]benzoic acid IUPAC Name: 4-[3-(4-cyano-2-hydroxyphenyl)propyl]benzoic acid Traditional Name: 4-[3-(4-cyano-2-hydroxy-phenyl)propyl]benzoic acid Formula: C17H15NO3 MolecularWeight: 281.3059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC2=C(C=C(C=C2)C#N)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCC2=C(C=C(C=C2)C#N)O)C(=O)O

InChI

InChI=1S/C17H15NO3/c18-11-13-6-7-14(16(19)10-13)3-1-2-12-4-8-15(9-5-12)17(20)21/h4-10,19H,1-3H2,(H,20,21)