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

Systemtic Name: 2-[2-[[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]phenyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]anilino]-2-oxoethyl]benzoic acid Traditional Name: 2-[2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]anilino]-2-keto-ethyl]benzoic acid Formula: C27H27NO6 MolecularWeight: 461.50638

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H27NO6/c1-3-7-23-24(13-12-21(17(2)29)26(23)31)34-16-18-8-6-10-20(14-18)28-25(30)15-19-9-4-5-11-22(19)27(32)33/h4-6,8-14,31H,3,7,15-16H2,1-2H3,(H,28,30)(H,32,33)