2-[4-(4-cyanobutoxy)-5-ethyl-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(4-cyanobutoxy)-5-ethyl-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(4-cyanobutoxy)-5-ethyl-2-hydroxy-benzoyl]benzoic acid CAS Name: 2-[[4-(4-cyanobutoxy)-5-ethyl-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(4-cyanobutoxy)-5-ethyl-2-hydroxybenzoyl]benzoic acid Traditional Name: 2-[4-(4-cyanobutoxy)-5-ethyl-2-hydroxy-benzoyl]benzoic acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)OCCCCC#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C2=CC=CC=C2C(=O)O)O)OCCCCC#N

InChI

InChI=1S/C21H21NO5/c1-2-14-12-17(18(23)13-19(14)27-11-7-3-6-10-22)20(24)15-8-4-5-9-16(15)21(25)26/h4-5,8-9,12-13,23H,2-3,6-7,11H2,1H3,(H,25,26)