4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3,5-dimethyl-benzoic acid

Systemtic Name: 4-(3-azanyl-2-methyl-3-oxidanylidene-propoxy)-3,5-dimethyl-benzoic acid Openeye Name: 4-(3-amino-2-methyl-3-oxo-propoxy)-3,5-dimethyl-benzoic acid CAS Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3,5-dimethylbenzoic acid IUPAC Name: 4-(3-amino-2-methyl-3-oxopropoxy)-3,5-dimethylbenzoic acid Traditional Name: 4-(3-amino-3-keto-2-methyl-propoxy)-3,5-dimethyl-benzoic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(C)C(=O)N)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCC(C)C(=O)N)C)C(=O)O

InChI

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