3-ethoxycarbonyl-2,4-dimethyl-6-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 3-ethoxycarbonyl-2,4-dimethyl-6-(2-methylpropanoylamino)benzoic acid Openeye Name: 3-ethoxycarbonyl-2,4-dimethyl-6-(2-methylpropanoylamino)benzoic acid CAS Name: 3-ethoxycarbonyl-2,4-dimethyl-6-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-ethoxycarbonyl-2,4-dimethyl-6-(2-methylpropanoylamino)benzoic acid Traditional Name: 3-carbethoxy-6-(isobutyrylamino)-2,4-dimethyl-benzoic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1C)NC(=O)C(C)C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1C)NC(=O)C(C)C)C(=O)O)C

InChI

InChI=1S/C16H21NO5/c1-6-22-16(21)12-9(4)7-11(17-14(18)8(2)3)13(10(12)5)15(19)20/h7-8H,6H2,1-5H3,(H,17,18)(H,19,20)