2-azanyl-3,5-dimethyl-4-propan-2-yloxycarbonyl-benzoic acid

Systemtic Name: 2-azanyl-3,5-dimethyl-4-propan-2-yloxycarbonyl-benzoic acid Openeye Name: 2-amino-4-isopropoxycarbonyl-3,5-dimethyl-benzoic acid CAS Name: 2-amino-3,5-dimethyl-4-[oxo(propan-2-yloxy)methyl]benzoic acid IUPAC Name: 2-amino-3,5-dimethyl-4-propan-2-yloxycarbonylbenzoic acid Traditional Name: 2-amino-4-isopropoxycarbonyl-3,5-dimethyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)N)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)N)C)C(=O)OC(C)C

InChI

InChI=1S/C13H17NO4/c1-6(2)18-13(17)10-7(3)5-9(12(15)16)11(14)8(10)4/h5-6H,14H2,1-4H3,(H,15,16)