6-(2-cyanophenyl)-1-(4-heptylphenyl)-6-pentyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-6-pentyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-6-pentyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-6-pentyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-6-pentylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-amyl-6-(2-cyanophenyl)-1-(4-heptylphenyl)cyclohexa-2,4-diene-1-carboxylate Formula: C32H38NO2- MolecularWeight: 468.64962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(C=CC=CC2(CCCCC)C3=CC=CC=C3C#N)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(C=CC=CC2(CCCCC)C3=CC=CC=C3C#N)C(=O)[O-]

InChI

InChI=1S/C32H39NO2/c1-3-5-7-8-9-15-26-18-20-28(21-19-26)32(30(34)35)24-14-13-23-31(32,22-12-6-4-2)29-17-11-10-16-27(29)25-33/h10-11,13-14,16-21,23-24H,3-9,12,15,22H2,1-2H3,(H,34,35)/p-1