3-methoxy-4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 3-methoxy-4-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 3-methoxy-4-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethoxy]benzoic acid CAS Name: 3-methoxy-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 3-methoxy-4-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]oxybenzoic acid Traditional Name: 4-[2-keto-1-methyl-2-(propargylamino)ethoxy]-3-methoxy-benzoic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)C(=O)O)OC

Isomeric SMILES

CC(C(=O)NCC#C)OC1=C(C=C(C=C1)C(=O)O)OC

InChI

InChI=1S/C14H15NO5/c1-4-7-15-13(16)9(2)20-11-6-5-10(14(17)18)8-12(11)19-3/h1,5-6,8-9H,7H2,2-3H3,(H,15,16)(H,17,18)