3-cyano-4-octan-2-yloxy-benzoic acid

Systemtic Name: 3-cyano-4-octan-2-yloxy-benzoic acid Openeye Name: 3-cyano-4-(1-methylheptoxy)benzoic acid CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid IUPAC Name: 3-cyano-4-octan-2-yloxybenzoic acid Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)O)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)O)C#N

InChI

InChI=1S/C16H21NO3/c1-3-4-5-6-7-12(2)20-15-9-8-13(16(18)19)10-14(15)11-17/h8-10,12H,3-7H2,1-2H3,(H,18,19)