[[3,5-dimethyl-4-[4-oxidanyl-3-(2-phenylbutanoylamino)phenoxy]phenyl]amino] 2-oxidanylideneethanoate

Systemtic Name: [[3,5-dimethyl-4-[4-oxidanyl-3-(2-phenylbutanoylamino)phenoxy]phenyl]amino] 2-oxidanylideneethanoate Openeye Name: [4-[4-hydroxy-3-(2-phenylbutanoylamino)phenoxy]-3,5-dimethyl-anilino] 2-oxoacetate CAS Name: 2-oxoacetic acid [4-[4-hydroxy-3-[(1-oxo-2-phenylbutyl)amino]phenoxy]-3,5-dimethylanilino] ester IUPAC Name: [4-[4-hydroxy-3-(2-phenylbutanoylamino)phenoxy]-3,5-dimethylanilino] 2-oxoacetate Traditional Name: 2-ketoacetic acid [4-[4-hydroxy-3-(2-phenylbutanoylamino)phenoxy]-3,5-dimethyl-anilino] ester Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)OC3=C(C=C(C=C3C)NOC(=O)C=O)C)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)OC3=C(C=C(C=C3C)NOC(=O)C=O)C)O

InChI

InChI=1S/C26H26N2O6/c1-4-21(18-8-6-5-7-9-18)26(32)27-22-14-20(10-11-23(22)30)33-25-16(2)12-19(13-17(25)3)28-34-24(31)15-29/h5-15,21,28,30H,4H2,1-3H3,(H,27,32)