ditert-butyl 2-[1-[2-(4-acetamidobutyl)phenyl]-1-oxidanylidene-propan-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-[1-[2-(4-acetamidobutyl)phenyl]-1-oxidanylidene-propan-2-yl]propanedioate Openeye Name: ditert-butyl 2-[2-[2-(4-acetamidobutyl)phenyl]-1-methyl-2-oxo-ethyl]propanedioate CAS Name: 2-[1-[2-(4-acetamidobutyl)phenyl]-1-oxopropan-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[1-[2-(4-acetamidobutyl)phenyl]-1-oxopropan-2-yl]propanedioate Traditional Name: 2-[2-[2-(4-acetamidobutyl)phenyl]-2-keto-1-methyl-ethyl]malonic acid ditert-butyl ester Formula: C26H39NO6 MolecularWeight: 461.59096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)C1=CC=CC=C1CCCCNC(=O)C

Isomeric SMILES

CC(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)C1=CC=CC=C1CCCCNC(=O)C

InChI

InChI=1S/C26H39NO6/c1-17(21(23(30)32-25(3,4)5)24(31)33-26(6,7)8)22(29)20-15-10-9-13-19(20)14-11-12-16-27-18(2)28/h9-10,13,15,17,21H,11-12,14,16H2,1-8H3,(H,27,28)