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

Systemtic Name: 3-[2-(5-chloranyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-(2-oxidanylidenepiperidin-1-yl)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(2-oxo-1-piperidyl)benzoic acid CAS Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)-1-cyclopentenyl]-5-(2-oxo-1-piperidinyl)benzoic acid IUPAC Name: 3-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(2-oxopiperidin-1-yl)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-chloro-phenyl)cyclopenten-1-yl]-5-(2-ketopiperidino)benzoic acid Formula: C30H28ClNO4 MolecularWeight: 502.00062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC(=CC(=C2)C(=O)O)C3=C(CCC3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC(=CC(=C2)C(=O)O)C3=C(CCC3)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5

InChI

InChI=1S/C30H28ClNO4/c31-23-12-13-28(36-19-20-7-2-1-3-8-20)27(18-23)26-10-6-9-25(26)21-15-22(30(34)35)17-24(16-21)32-14-5-4-11-29(32)33/h1-3,7-8,12-13,15-18H,4-6,9-11,14,19H2,(H,34,35)