4-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 4-[2-(2-tert-butyl-4-methyl-phenoxy)ethanoylamino]-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 4-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-5-chloro-2-methoxy-benzoic acid CAS Name: 4-[[2-(2-tert-butyl-4-methylphenoxy)-1-oxoethyl]amino]-5-chloro-2-methoxybenzoic acid IUPAC Name: 4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]-5-chloro-2-methoxybenzoic acid Traditional Name: 4-[[2-(2-tert-butyl-4-methyl-phenoxy)acetyl]amino]-5-chloro-2-methoxy-benzoic acid Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C(=C2)OC)C(=O)O)Cl)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC2=C(C=C(C(=C2)OC)C(=O)O)Cl)C(C)(C)C

InChI

InChI=1S/C21H24ClNO5/c1-12-6-7-17(14(8-12)21(2,3)4)28-11-19(24)23-16-10-18(27-5)13(20(25)26)9-15(16)22/h6-10H,11H2,1-5H3,(H,23,24)(H,25,26)