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

Systemtic Name: O1-tert-butyl O3-phenyl 2-[(4-butan-2-ylphenyl)methyl]-2-methyl-propanedioate Openeye Name: O1-tert-butyl O3-phenyl 2-methyl-2-[(4-sec-butylphenyl)methyl]propanedioate CAS Name: 2-[(4-butan-2-ylphenyl)methyl]-2-methylpropanedioic acid O1-tert-butyl ester O3-phenyl ester IUPAC Name: 1-O-tert-butyl 3-O-phenyl 2-[(4-butan-2-ylphenyl)methyl]-2-methylpropanedioate Traditional Name: 2-methyl-2-(4-sec-butylbenzyl)malonic acid O1-tert-butyl ester O3-phenyl ester Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CC(C)(C(=O)OC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CC(C)(C(=O)OC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32O4/c1-7-18(2)20-15-13-19(14-16-20)17-25(6,23(27)29-24(3,4)5)22(26)28-21-11-9-8-10-12-21/h8-16,18H,7,17H2,1-6H3