tert-butyl 4-[3,3-diethyl-4-oxidanylidene-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[3,3-diethyl-4-oxidanylidene-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoate CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(6-phenylhexylamino)methyl]-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoate Traditional Name: 4-[3,3-diethyl-4-keto-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C31H42N2O5 MolecularWeight: 522.67558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCCCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCCCCCCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C31H42N2O5/c1-6-31(7-2)27(35)33(29(36)32-22-14-9-8-11-15-23-16-12-10-13-17-23)28(31)37-25-20-18-24(19-21-25)26(34)38-30(3,4)5/h10,12-13,16-21,28H,6-9,11,14-15,22H2,1-5H3,(H,32,36)