4-[3,3-diethyl-4-oxidanylidene-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3,3-diethyl-4-oxidanylidene-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(6-phenylhexylamino)methyl]-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-4-oxo-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-(6-phenylhexylcarbamoyl)azetidin-2-yl]oxybenzoic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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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)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-3-27(4-2)24(32)29(25(27)34-22-17-15-21(16-18-22)23(30)31)26(33)28-19-11-6-5-8-12-20-13-9-7-10-14-20/h7,9-10,13-18,25H,3-6,8,11-12,19H2,1-2H3,(H,28,33)(H,30,31)