methyl 3-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: methyl 3-[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]propanoate Openeye Name: methyl 3-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]propanoate CAS Name: 3-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]propanoate Traditional Name: 3-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]propionic acid methyl ester Formula: C20H32O3 MolecularWeight: 320.46628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(C(=C(C(=C1)CCC(=O)OC)C)C)O

Isomeric SMILES

CCCCCC(C)(C)C1=C(C(=C(C(=C1)CCC(=O)OC)C)C)O

InChI

InChI=1S/C20H32O3/c1-7-8-9-12-20(4,5)17-13-16(10-11-18(21)23-6)14(2)15(3)19(17)22/h13,22H,7-12H2,1-6H3