5-cyano-5-(3-methoxyphenyl)heptadecanoic acid

Systemtic Name: 5-cyano-5-(3-methoxyphenyl)heptadecanoic acid Openeye Name: 5-cyano-5-(3-methoxyphenyl)heptadecanoic acid CAS Name: 5-cyano-5-(3-methoxyphenyl)heptadecanoic acid IUPAC Name: 5-cyano-5-(3-methoxyphenyl)heptadecanoic acid Traditional Name: 5-cyano-5-(3-methoxyphenyl)heptadecanoic acid Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(=O)O)(C#N)C1=CC(=CC=C1)OC

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(=O)O)(C#N)C1=CC(=CC=C1)OC

InChI

InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-18-25(21-26,19-14-17-24(27)28)22-15-13-16-23(20-22)29-2/h13,15-16,20H,3-12,14,17-19H2,1-2H3,(H,27,28)