4-[3,3-diethyl-1-[(4-hydroxyphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3,3-diethyl-1-[(4-hydroxyphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-1-[(4-hydroxyphenyl)carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-1-[(4-hydroxyanilino)-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-1-[(4-hydroxyphenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-1-[(4-hydroxyphenyl)carbamoyl]-4-keto-azetidin-2-yl]oxybenzoic acid Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-3-21(4-2)18(27)23(20(28)22-14-7-9-15(24)10-8-14)19(21)29-16-11-5-13(6-12-16)17(25)26/h5-12,19,24H,3-4H2,1-2H3,(H,22,28)(H,25,26)