2-[[2,3,5-trimethyl-4-(3-methyl-4-oxidanyl-5-propan-2-yl-phenoxy)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2,3,5-trimethyl-4-(3-methyl-4-oxidanyl-5-propan-2-yl-phenoxy)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(4-hydroxy-3-isopropyl-5-methyl-phenoxy)-2,3,5-trimethyl-benzoyl]amino]acetic acid CAS Name: 2-[[[4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)-2,3,5-trimethylphenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)-2,3,5-trimethylbenzoyl]amino]acetic acid Traditional Name: 2-[[4-(4-hydroxy-3-isopropyl-5-methyl-phenoxy)-2,3,5-trimethyl-benzoyl]amino]acetic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2C)C)C(=O)NCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C(C)C)OC2=C(C=C(C(=C2C)C)C(=O)NCC(=O)O)C

InChI

InChI=1S/C22H27NO5/c1-11(2)17-9-16(7-12(3)20(17)26)28-21-13(4)8-18(14(5)15(21)6)22(27)23-10-19(24)25/h7-9,11,26H,10H2,1-6H3,(H,23,27)(H,24,25)