1-[4-(4-heptylphenyl)phenyl]ethyl 4-methylheptanoate

Systemtic Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 4-methylheptanoate Openeye Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 4-methylheptanoate CAS Name: 4-methylheptanoic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-heptylphenyl)phenyl]ethyl 4-methylheptanoate Traditional Name: 4-methylenanthic acid 1-[4-(4-heptylphenyl)phenyl]ethyl ester Formula: C29H42O2 MolecularWeight: 422.64258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42O2/c1-5-7-8-9-10-12-25-14-16-27(17-15-25)28-20-18-26(19-21-28)24(4)31-29(30)22-13-23(3)11-6-2/h14-21,23-24H,5-13,22H2,1-4H3