(4-pentylphenyl) 3-(2-cyclohexyl-4-pentan-2-yl-phenyl)propanoate

Systemtic Name: (4-pentylphenyl) 3-(2-cyclohexyl-4-pentan-2-yl-phenyl)propanoate Openeye Name: (4-pentylphenyl) 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propanoate CAS Name: 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoate Traditional Name: 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propionic acid (4-amylphenyl) ester Formula: C31H44O2 MolecularWeight: 448.67986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

InChI

InChI=1S/C31H44O2/c1-4-6-8-12-25-15-20-29(21-16-25)33-31(32)22-19-27-17-18-28(24(3)11-5-2)23-30(27)26-13-9-7-10-14-26/h15-18,20-21,23-24,26H,4-14,19,22H2,1-3H3