2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)-2-oxidanylidene-ethyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)-2-oxidanylidene-ethyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(4-tert-butyl-2,6-dimethylphenyl)-2-oxoethyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(4-tert-butyl-2,6-dimethyl-phenyl)-2-keto-ethyl]carbamoyl]benzoic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)CNC(=O)C2=CC=CC=C2C(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)CNC(=O)C2=CC=CC=C2C(=O)O)C)C(C)(C)C

InChI

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