6-azanyl-2,4-dimethyl-3-propoxycarbonyl-benzoic acid

Systemtic Name: 6-azanyl-2,4-dimethyl-3-propoxycarbonyl-benzoic acid Openeye Name: 6-amino-2,4-dimethyl-3-propoxycarbonyl-benzoic acid CAS Name: 6-amino-2,4-dimethyl-3-[oxo(propoxy)methyl]benzoic acid IUPAC Name: 6-amino-2,4-dimethyl-3-propoxycarbonylbenzoic acid Traditional Name: 6-amino-2,4-dimethyl-3-propoxycarbonyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C(=C(C=C1C)N)C(=O)O)C

Isomeric SMILES

CCCOC(=O)C1=C(C(=C(C=C1C)N)C(=O)O)C

InChI

InChI=1S/C13H17NO4/c1-4-5-18-13(17)10-7(2)6-9(14)11(8(10)3)12(15)16/h6H,4-5,14H2,1-3H3,(H,15,16)