3,5-dimethyl-4-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid

Systemtic Name: 3,5-dimethyl-4-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoic acid Openeye Name: 4-[2-(isobutylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-benzoic acid CAS Name: 3,5-dimethyl-4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid IUPAC Name: 3,5-dimethyl-4-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid Traditional Name: 4-[2-(isobutylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzoic acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NCC(C)C)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NCC(C)C)C)C(=O)O

InChI

InChI=1S/C16H23NO4/c1-9(2)8-17-15(18)12(5)21-14-10(3)6-13(16(19)20)7-11(14)4/h6-7,9,12H,8H2,1-5H3,(H,17,18)(H,19,20)