4-[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxidanylidene-azetidin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxidanylidene-azetidin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxo-azetidine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxo-1-azetidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxoazetidine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-carboxyphenoxy)-3,3-diethyl-4-keto-azetidine-1-carbonyl]amino]benzoic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)C(=O)O)OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)C(=O)O)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C22H22N2O7/c1-3-22(4-2)19(29)24(20(22)31-16-11-7-14(8-12-16)18(27)28)21(30)23-15-9-5-13(6-10-15)17(25)26/h5-12,20H,3-4H2,1-2H3,(H,23,30)(H,25,26)(H,27,28)