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

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propoxy)-3,5-dimethyl-benzoic acid Openeye Name: 4-(3-amino-3-oxo-propoxy)-3,5-dimethyl-benzoic acid CAS Name: 4-(3-amino-3-oxopropoxy)-3,5-dimethylbenzoic acid IUPAC Name: 4-(3-amino-3-oxopropoxy)-3,5-dimethylbenzoic acid Traditional Name: 4-(3-amino-3-keto-propoxy)-3,5-dimethyl-benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCC(=O)N)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OCCC(=O)N)C)C(=O)O

InChI

InChI=1S/C12H15NO4/c1-7-5-9(12(15)16)6-8(2)11(7)17-4-3-10(13)14/h5-6H,3-4H2,1-2H3,(H2,13,14)(H,15,16)