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

Systemtic Name: (4-heptylphenyl) 3-(2-cyclohexyl-4-pentan-2-yl-phenyl)propanoate Openeye Name: (4-heptylphenyl) 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propanoate CAS Name: 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 3-(2-cyclohexyl-4-pentan-2-ylphenyl)propanoate Traditional Name: 3-[2-cyclohexyl-4-(1-methylbutyl)phenyl]propionic acid (4-heptylphenyl) ester Formula: C33H48O2 MolecularWeight: 476.73302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)CCC2=C(C=C(C=C2)C(C)CCC)C3CCCCC3

InChI

InChI=1S/C33H48O2/c1-4-6-7-8-10-14-27-17-22-31(23-18-27)35-33(34)24-21-29-19-20-30(26(3)13-5-2)25-32(29)28-15-11-9-12-16-28/h17-20,22-23,25-26,28H,4-16,21,24H2,1-3H3