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

Systemtic Name: 4-[3,3-diethyl-4-oxidanylidene-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-4-oxo-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(4-phenoxybutylamino)methyl]-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-4-oxo-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCCCCOC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCCCCOC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C25H30N2O6/c1-3-25(4-2)22(30)27(23(25)33-20-14-12-18(13-15-20)21(28)29)24(31)26-16-8-9-17-32-19-10-6-5-7-11-19/h5-7,10-15,23H,3-4,8-9,16-17H2,1-2H3,(H,26,31)(H,28,29)