4-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-4-keto-butyric acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H25NO6/c1-3-5-18-19(9-8-17(14(2)24)22(18)28)29-13-15-6-4-7-16(12-15)23-20(25)10-11-21(26)27/h4,6-9,12,28H,3,5,10-11,13H2,1-2H3,(H,23,25)(H,26,27)