[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C22H25NO4/c1-5-15-6-8-17(9-7-15)20(25)27-14-19(24)16-10-12-18(13-11-16)23-21(26)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,26)