(4-acetyloxy-7-cyano-2,3-dimethoxy-naphthalen-1-yl) octanoate

Systemtic Name: (4-acetyloxy-7-cyano-2,3-dimethoxy-naphthalen-1-yl) octanoate Openeye Name: (4-acetoxy-7-cyano-2,3-dimethoxy-1-naphthyl) octanoate CAS Name: octanoic acid (4-acetyloxy-7-cyano-2,3-dimethoxy-1-naphthalenyl) ester IUPAC Name: (4-acetyloxy-7-cyano-2,3-dimethoxynaphthalen-1-yl) octanoate Traditional Name: caprylic acid (4-acetoxy-7-cyano-2,3-dimethoxy-1-naphthyl) ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)C#N)OC(=O)C)OC)OC

Isomeric SMILES

CCCCCCCC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)C#N)OC(=O)C)OC)OC

InChI

InChI=1S/C23H27NO6/c1-5-6-7-8-9-10-19(26)30-21-18-13-16(14-24)11-12-17(18)20(29-15(2)25)22(27-3)23(21)28-4/h11-13H,5-10H2,1-4H3