3,5-bis[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]benzoic acid Openeye Name: 3,5-bis[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzoic acid CAS Name: 3,5-bis[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]benzoic acid IUPAC Name: 3,5-bis[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoic acid Traditional Name: 3,5-bis[2-(4-chloro-2-methyl-phenoxy)propanoylamino]benzoic acid Formula: C27H26Cl2N2O6 MolecularWeight: 545.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC(=CC(=C2)C(=O)O)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C27H26Cl2N2O6/c1-14-9-19(28)5-7-23(14)36-16(3)25(32)30-21-11-18(27(34)35)12-22(13-21)31-26(33)17(4)37-24-8-6-20(29)10-15(24)2/h5-13,16-17H,1-4H3,(H,30,32)(H,31,33)(H,34,35)