5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-2-(propanoylamino)benzoic acid CAS Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-2-propionamido-benzoic acid Formula: C28H26ClNO4 MolecularWeight: 475.96334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C2=C(CCC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C2=C(CCC2)C3=C(C=CC(=C3)Cl)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26ClNO4/c1-2-27(31)30-25-13-11-19(15-24(25)28(32)33)21-9-6-10-22(21)23-16-20(29)12-14-26(23)34-17-18-7-4-3-5-8-18/h3-5,7-8,11-16H,2,6,9-10,17H2,1H3,(H,30,31)(H,32,33)