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

Systemtic Name: 4-[3,3-diethyl-4-oxidanylidene-1-(4-phenylbutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-4-oxo-1-(4-phenylbutylcarbamoyl)azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(4-phenylbutylamino)methyl]-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-4-oxo-1-(4-phenylbutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-(4-phenylbutylcarbamoyl)azetidin-2-yl]oxybenzoic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C25H30N2O5/c1-3-25(4-2)22(30)27(23(25)32-20-15-13-19(14-16-20)21(28)29)24(31)26-17-9-8-12-18-10-6-5-7-11-18/h5-7,10-11,13-16,23H,3-4,8-9,12,17H2,1-2H3,(H,26,31)(H,28,29)