[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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