2-chloranyl-3-[3-[4-(5-thiophen-2-ylpentoxy)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-3-[3-[4-(5-thiophen-2-ylpentoxy)phenyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-3-[3-[4-[5-(2-thienyl)pentoxy]phenyl]propanoylamino]benzoic acid CAS Name: 2-chloro-3-[[1-oxo-3-[4-(5-thiophen-2-ylpentoxy)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-chloro-3-[3-[4-(5-thiophen-2-ylpentoxy)phenyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-3-[3-[4-[5-(2-thienyl)pentoxy]phenyl]propanoylamino]benzoic acid Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CS3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=O)CCC2=CC=C(C=C2)OCCCCCC3=CC=CS3)Cl)C(=O)O

InChI

InChI=1S/C25H26ClNO4S/c26-24-21(25(29)30)8-4-9-22(24)27-23(28)15-12-18-10-13-19(14-11-18)31-16-3-1-2-6-20-7-5-17-32-20/h4-5,7-11,13-14,17H,1-3,6,12,15-16H2,(H,27,28)(H,29,30)