3-(5-chloranylpentanoylamino)-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-(5-chloranylpentanoylamino)-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(5-chloropentanoylamino)benzoic acid CAS Name: 3-[(5-chloro-1-oxopentyl)amino]-5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-(5-chloropentanoylamino)-5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(5-chloropentanoylamino)benzoic acid Formula: C30H29Cl2NO4 MolecularWeight: 538.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC(=C4)NC(=O)CCCCCl)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC(=C4)NC(=O)CCCCCl)C(=O)O

InChI

InChI=1S/C30H29Cl2NO4/c31-14-5-4-11-29(34)33-24-16-21(15-22(17-24)30(35)36)25-9-6-10-26(25)27-18-23(32)12-13-28(27)37-19-20-7-2-1-3-8-20/h1-3,7-8,12-13,15-18H,4-6,9-11,14,19H2,(H,33,34)(H,35,36)