2-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]phenyl]carbamoyl]benzoic acid Formula: C26H25NO6 MolecularWeight: 447.4798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C26H25NO6/c1-3-7-22-23(13-12-19(16(2)28)24(22)29)33-15-17-8-6-9-18(14-17)27-25(30)20-10-4-5-11-21(20)26(31)32/h4-6,8-14,29H,3,7,15H2,1-2H3,(H,27,30)(H,31,32)