O3-tert-butyl O1-ethyl 2-[(4-butan-2-ylphenyl)methyl]-2-methyl-propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[(4-butan-2-ylphenyl)methyl]-2-methyl-propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-methyl-2-[(4-sec-butylphenyl)methyl]propanedioate CAS Name: 2-[(4-butan-2-ylphenyl)methyl]-2-methylpropanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[(4-butan-2-ylphenyl)methyl]-2-methylpropanedioate Traditional Name: 2-methyl-2-(4-sec-butylbenzyl)malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CC(C)(C(=O)OCC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CC(C)(C(=O)OCC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32O4/c1-8-15(3)17-12-10-16(11-13-17)14-21(7,18(22)24-9-2)19(23)25-20(4,5)6/h10-13,15H,8-9,14H2,1-7H3