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

Systemtic Name: 4-[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxidanylidene-azetidin-1-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxo-azetidine-1-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxo-1-azetidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-oxoazetidine-1-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-carboxyphenoxy)-3,3-diethyl-4-keto-azetidine-1-carbonyl]amino]methyl]benzoic acid Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=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)NCC2=CC=C(C=C2)C(=O)O)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C23H24N2O7/c1-3-23(4-2)20(30)25(21(23)32-17-11-9-16(10-12-17)19(28)29)22(31)24-13-14-5-7-15(8-6-14)18(26)27/h5-12,21H,3-4,13H2,1-2H3,(H,24,31)(H,26,27)(H,28,29)