4-[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2-[(4-phenylcyclohexyl)carbonylamino]butanoic acid

Systemtic Name: 4-[4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyphenoxy]-2-[(4-phenylcyclohexyl)carbonylamino]butanoic acid Openeye Name: 4-[4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)phenoxy]-2-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid CAS Name: 4-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]-2-[[oxo-(4-phenylcyclohexyl)methyl]amino]butanoic acid IUPAC Name: 4-[4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]-2-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid Traditional Name: 4-[4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)phenoxy]-2-[(4-phenylcyclohexanecarbonyl)amino]butyric acid Formula: C27H33NO7 MolecularWeight: 483.55342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCCC(C(=O)O)NC(=O)C2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)OCCC(C(=O)O)NC(=O)C2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C27H33NO7/c1-27(2,26(32)33)35-22-14-12-21(13-15-22)34-17-16-23(25(30)31)28-24(29)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-7,12-15,19-20,23H,8-11,16-17H2,1-2H3,(H,28,29)(H,30,31)(H,32,33)