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2-[cyano(diphenyl)methyl]octanoic acid

2-[cyano(diphenyl)methyl]octanoic acid

Systemtic Name:2-[cyano(diphenyl)methyl]octanoic acid
Openeye Name:2-[cyano(diphenyl)methyl]octanoic acid
CAS Name:2-[cyano(diphenyl)methyl]octanoic acid
IUPAC Name:2-[cyano(diphenyl)methyl]octanoic acid
Traditional Name:2-[cyano(diphenyl)methyl]caprylic acid
Formula: C22H25NO2
MolecularWeight: 335.4394
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H25NO2/c1-2-3-4-11-16-20(21(24)25)22(17-23,18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,2-4,11,16H2,1H3,(H,24,25)


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