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

Systemtic Name: [[4-[3-(hexanoylamino)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino] 2-oxidanylideneethanoate Openeye Name: [4-[3-(hexanoylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino] 2-oxoacetate CAS Name: 2-oxoacetic acid [4-[4-hydroxy-3-(1-oxohexylamino)phenoxy]-3,5-dimethylanilino] ester IUPAC Name: [4-[3-(hexanoylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino] 2-oxoacetate Traditional Name: 2-ketoacetic acid [4-[3-(caproylamino)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NOC(=O)C=O)C)O

Isomeric SMILES

CCCCCC(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2C)NOC(=O)C=O)C)O

InChI

InChI=1S/C22H26N2O6/c1-4-5-6-7-20(27)23-18-12-17(8-9-19(18)26)29-22-14(2)10-16(11-15(22)3)24-30-21(28)13-25/h8-13,24,26H,4-7H2,1-3H3,(H,23,27)