2-[[3-cyano-5-methyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-cyano-5-methyl-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)-5-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[3-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[3-cyano-4-(4-hydroxy-3-propan-2-ylphenoxy)-5-methylanilino]-2-oxoacetic acid Traditional Name: 2-[3-cyano-4-(4-hydroxy-3-isopropyl-phenoxy)-5-methyl-anilino]-2-keto-acetic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C(=O)O)C#N)OC2=CC(=C(C=C2)O)C(C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C(=O)O)C#N)OC2=CC(=C(C=C2)O)C(C)C

InChI

InChI=1S/C19H18N2O5/c1-10(2)15-8-14(4-5-16(15)22)26-17-11(3)6-13(7-12(17)9-20)21-18(23)19(24)25/h4-8,10,22H,1-3H3,(H,21,23)(H,24,25)