2-[[1-(tert-butylamino)-3-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-(tert-butylamino)-3-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(tert-butylamino)-1-(chloromethyl)-1-methyl-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-(tert-butylamino)-3-chloro-2-methyl-1-oxopropan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[[1-(tert-butylamino)-3-chloro-2-methyl-1-oxopropan-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(tert-butylamino)-1-(chloromethyl)-2-keto-1-methyl-ethyl]carbamoyl]benzoic acid Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C)(CCl)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)C(C)(CCl)NC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C16H21ClN2O4/c1-15(2,3)19-14(23)16(4,9-17)18-12(20)10-7-5-6-8-11(10)13(21)22/h5-8H,9H2,1-4H3,(H,18,20)(H,19,23)(H,21,22)