[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methylbenzoate

Systemtic Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-methylbenzoate Openeye Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-[4-(pivaloylamino)phenyl]ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C21H23NO4/c1-14-6-5-7-16(12-14)19(24)26-13-18(23)15-8-10-17(11-9-15)22-20(25)21(2,3)4/h5-12H,13H2,1-4H3,(H,22,25)