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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)C1=CC=C(C=C1)CCCCNC(=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)20-14-12-19(13-15-20)11-9-10-16-27-18(2)28/h12-15,17,21H,9-11,16H2,1-8H3,(H,27,28)