3-(4-chloranylbutanoylamino)-5-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 3-(4-chloranylbutanoylamino)-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-(4-chlorobutanoylamino)benzoic acid CAS Name: 3-[(4-chloro-1-oxobutyl)amino]-5-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-(4-chlorobutanoylamino)-5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(4-chlorobutanoylamino)benzoic acid Formula: C29H27Cl2NO4 MolecularWeight: 524.43498

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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)CCCCl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C29H27Cl2NO4/c30-13-5-10-28(33)32-23-15-20(14-21(16-23)29(34)35)24-8-4-9-25(24)26-17-22(31)11-12-27(26)36-18-19-6-2-1-3-7-19/h1-3,6-7,11-12,14-17H,4-5,8-10,13,18H2,(H,32,33)(H,34,35)