[2-cyano-4-(3-methylbutyl)phenyl] 1-(4-decylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-decylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(4-decylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-decylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-decylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-decylphenyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C35H49NO2/c1-4-5-6-7-8-9-10-12-15-29-18-21-32(22-19-29)35(24-13-11-14-25-35)34(37)38-33-23-20-30(17-16-28(2)3)26-31(33)27-36/h18-23,26,28H,4-17,24-25H2,1-3H3