3-methoxycarbonyl-4-(2-methylpropylamino)benzoic acid

Systemtic Name: 3-methoxycarbonyl-4-(2-methylpropylamino)benzoic acid Openeye Name: 4-(isobutylamino)-3-methoxycarbonyl-benzoic acid CAS Name: 3-methoxycarbonyl-4-(2-methylpropylamino)benzoic acid IUPAC Name: 3-methoxycarbonyl-4-(2-methylpropylamino)benzoic acid Traditional Name: 3-carbomethoxy-4-(isobutylamino)benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)C(=O)O)C(=O)OC

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)C(=O)O)C(=O)OC

InChI

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