[2-(1-cyanoheptyl)phenyl] 2-pentyl-6-phenyl-benzoate

Systemtic Name: [2-(1-cyanoheptyl)phenyl] 2-pentyl-6-phenyl-benzoate Openeye Name: [2-(1-cyanoheptyl)phenyl] 2-pentyl-6-phenyl-benzoate CAS Name: 2-pentyl-6-phenylbenzoic acid [2-(1-cyanoheptyl)phenyl] ester IUPAC Name: [2-(1-cyanoheptyl)phenyl] 2-pentyl-6-phenylbenzoate Traditional Name: 2-amyl-6-phenyl-benzoic acid [2-(1-cyanoheptyl)phenyl] ester Formula: C32H37NO2 MolecularWeight: 467.64168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#N)C1=CC=CC=C1OC(=O)C2=C(C=CC=C2CCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C#N)C1=CC=CC=C1OC(=O)C2=C(C=CC=C2CCCCC)C3=CC=CC=C3

InChI

InChI=1S/C32H37NO2/c1-3-5-7-10-19-27(24-33)28-21-13-14-23-30(28)35-32(34)31-26(18-9-6-4-2)20-15-22-29(31)25-16-11-8-12-17-25/h8,11-17,20-23,27H,3-7,9-10,18-19H2,1-2H3