methyl 3-(4-heptylphenyl)-2-methyl-propanoate

Systemtic Name: methyl 3-(4-heptylphenyl)-2-methyl-propanoate Openeye Name: methyl 3-(4-heptylphenyl)-2-methyl-propanoate CAS Name: 3-(4-heptylphenyl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-(4-heptylphenyl)-2-methylpropanoate Traditional Name: 3-(4-heptylphenyl)-2-methyl-propionic acid methyl ester Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O2/c1-4-5-6-7-8-9-16-10-12-17(13-11-16)14-15(2)18(19)20-3/h10-13,15H,4-9,14H2,1-3H3