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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32O4/c1-6-18(2)21-14-12-19(13-15-21)16-22(24(27)29-25(3,4)5)23(26)28-17-20-10-8-7-9-11-20/h7-15,18,22H,6,16-17H2,1-5H3