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

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-morpholin-4-yl-benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-5-morpholino-benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-5-(4-morpholinyl)benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-morpholin-4-ylbenzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-morpholino-benzoic acid Formula: C29H28ClNO4 MolecularWeight: 489.98992

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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)N5CCOCC5)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3)C4=CC(=CC(=C4)N5CCOCC5)C(=O)O

InChI

InChI=1S/C29H28ClNO4/c30-23-9-10-28(35-19-20-5-2-1-3-6-20)27(18-23)26-8-4-7-25(26)21-15-22(29(32)33)17-24(16-21)31-11-13-34-14-12-31/h1-3,5-6,9-10,15-18H,4,7-8,11-14,19H2,(H,32,33)