3-[[4-[3-(cyclopentylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-(cyclopentylmethylsulfonyl)-4-oxidanyl-phenoxy]-3,5-dimethyl-phenyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(cyclopentylmethylsulfonyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(cyclopentylmethylsulfonyl)-4-hydroxy-phenoxy]-3,5-dimethyl-anilino]-3-keto-propionic acid Formula: C23H27NO7S MolecularWeight: 461.52798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)C)NC(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)CC3CCCC3)C)NC(=O)CC(=O)O

InChI

InChI=1S/C23H27NO7S/c1-14-9-17(24-21(26)12-22(27)28)10-15(2)23(14)31-18-7-8-19(25)20(11-18)32(29,30)13-16-5-3-4-6-16/h7-11,16,25H,3-6,12-13H2,1-2H3,(H,24,26)(H,27,28)