2-(4-cyanophenyl)-4-heptanoyloxy-benzoic acid

Systemtic Name: 2-(4-cyanophenyl)-4-heptanoyloxy-benzoic acid Openeye Name: 2-(4-cyanophenyl)-4-heptanoyloxy-benzoic acid CAS Name: 2-(4-cyanophenyl)-4-(1-oxoheptoxy)benzoic acid IUPAC Name: 2-(4-cyanophenyl)-4-heptanoyloxybenzoic acid Traditional Name: 2-(4-cyanophenyl)-4-enanthyloxy-benzoic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC(=O)OC1=CC(=C(C=C1)C(=O)O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO4/c1-2-3-4-5-6-20(23)26-17-11-12-18(21(24)25)19(13-17)16-9-7-15(14-22)8-10-16/h7-13H,2-6H2,1H3,(H,24,25)