tert-butyl 4-[3,3-diethyl-4-oxidanylidene-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[3,3-diethyl-4-oxidanylidene-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[3,3-diethyl-4-oxo-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoate CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(4-phenoxybutylamino)methyl]-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,3-diethyl-4-oxo-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoate Traditional Name: 4-[3,3-diethyl-4-keto-1-(4-phenoxybutylcarbamoyl)azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C29H38N2O6 MolecularWeight: 510.62182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O6/c1-6-29(7-2)25(33)31(27(34)30-19-11-12-20-35-22-13-9-8-10-14-22)26(29)36-23-17-15-21(16-18-23)24(32)37-28(3,4)5/h8-10,13-18,26H,6-7,11-12,19-20H2,1-5H3,(H,30,34)