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

Systemtic Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-4-pentyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-4-pentyl-cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-4-pentyl-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: 6-(2-cyanophenyl)-1-(4-heptylphenyl)-4-pentylcyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-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(=CC2C3=CC=CC=C3C#N)CCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(C=CC(=CC2C3=CC=CC=C3C#N)CCCCC)C(=O)[O-]

InChI

InChI=1S/C32H39NO2/c1-3-5-7-8-10-13-25-17-19-28(20-18-25)32(31(34)35)22-21-26(14-9-6-4-2)23-30(32)29-16-12-11-15-27(29)24-33/h11-12,15-23,30H,3-10,13-14H2,1-2H3,(H,34,35)/p-1