cyano 4-heptyl-2-(3-phenylphenyl)benzoate

Systemtic Name: cyano 4-heptyl-2-(3-phenylphenyl)benzoate Openeye Name: cyano 4-heptyl-2-(3-phenylphenyl)benzoate CAS Name: 4-heptyl-2-(3-phenylphenyl)benzoic acid cyano ester IUPAC Name: cyano 4-heptyl-2-(3-phenylphenyl)benzoate Traditional Name: 4-heptyl-2-(3-phenylphenyl)benzoic acid cyano ester Formula: C27H27NO2 MolecularWeight: 397.50878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC#N)C2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC#N)C2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H27NO2/c1-2-3-4-5-7-11-21-16-17-25(27(29)30-20-28)26(18-21)24-15-10-14-23(19-24)22-12-8-6-9-13-22/h6,8-10,12-19H,2-5,7,11H2,1H3