3-methyl-4-(2-methylpropoxycarbonylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-methylpropoxycarbonylamino)benzoic acid Openeye Name: 4-(isobutoxycarbonylamino)-3-methyl-benzoic acid CAS Name: 3-methyl-4-[[2-methylpropoxy(oxo)methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-(2-methylpropoxycarbonylamino)benzoic acid Traditional Name: 4-(isobutoxycarbonylamino)-3-methyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-8(2)7-18-13(17)14-11-5-4-10(12(15)16)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)