O4-tert-butyl O1-(phenylmethyl) 2-pentylbutanedioate

Systemtic Name: O4-tert-butyl O1-(phenylmethyl) 2-pentylbutanedioate Openeye Name: O1-benzyl O4-tert-butyl 2-pentylbutanedioate CAS Name: 2-pentylbutanedioic acid O4-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 4-O-tert-butyl 2-pentylbutanedioate Traditional Name: 2-amylsuccinic acid O1-benzyl ester O4-tert-butyl ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCC(CC(=O)OC(C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30O4/c1-5-6-8-13-17(14-18(21)24-20(2,3)4)19(22)23-15-16-11-9-7-10-12-16/h7,9-12,17H,5-6,8,13-15H2,1-4H3