3-[4-(4-cyanobutoxy)-5-ethyl-2-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 3-[4-(4-cyanobutoxy)-5-ethyl-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 3-[4-(4-cyanobutoxy)-5-ethyl-2-hydroxy-benzoyl]benzoic acid CAS Name: 3-[[4-(4-cyanobutoxy)-5-ethyl-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(4-cyanobutoxy)-5-ethyl-2-hydroxybenzoyl]benzoic acid Traditional Name: 3-[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=C2)C(=O)O)O)OCCCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-2-14-12-17(18(23)13-19(14)27-10-5-3-4-9-22)20(24)15-7-6-8-16(11-15)21(25)26/h6-8,11-13,23H,2-5,10H2,1H3,(H,25,26)