4-(3-azanyl-3-oxidanylidene-propoxy)-3-ethoxy-benzoic acid

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propoxy)-3-ethoxy-benzoic acid Openeye Name: 4-(3-amino-3-oxo-propoxy)-3-ethoxy-benzoic acid CAS Name: 4-(3-amino-3-oxopropoxy)-3-ethoxybenzoic acid IUPAC Name: 4-(3-amino-3-oxopropoxy)-3-ethoxybenzoic acid Traditional Name: 4-(3-amino-3-keto-propoxy)-3-ethoxy-benzoic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)O)OCCC(=O)N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)O)OCCC(=O)N

InChI

InChI=1S/C12H15NO5/c1-2-17-10-7-8(12(15)16)3-4-9(10)18-6-5-11(13)14/h3-4,7H,2,5-6H2,1H3,(H2,13,14)(H,15,16)