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

Systemtic Name: [[3,5-dimethyl-4-[4-oxidanyl-3-(2-phenoxybutanoylamino)phenoxy]phenyl]amino] 2-oxidanylideneethanoate Openeye Name: [4-[4-hydroxy-3-(2-phenoxybutanoylamino)phenoxy]-3,5-dimethyl-anilino] 2-oxoacetate CAS Name: 2-oxoacetic acid [4-[4-hydroxy-3-[(1-oxo-2-phenoxybutyl)amino]phenoxy]-3,5-dimethylanilino] ester IUPAC Name: [4-[4-hydroxy-3-(2-phenoxybutanoylamino)phenoxy]-3,5-dimethylanilino] 2-oxoacetate Traditional Name: 2-ketoacetic acid [4-[4-hydroxy-3-(2-phenoxybutanoylamino)phenoxy]-3,5-dimethyl-anilino] ester Formula: C26H26N2O7 MolecularWeight: 478.49384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NOC(=O)C=O)C)O)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NOC(=O)C=O)C)O)OC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O7/c1-4-23(33-19-8-6-5-7-9-19)26(32)27-21-14-20(10-11-22(21)30)34-25-16(2)12-18(13-17(25)3)28-35-24(31)15-29/h5-15,23,28,30H,4H2,1-3H3,(H,27,32)