3-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 3-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 3-(1-oxopropylamino)-5-[2-(2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 3-[2-(2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(2-benzoxyphenyl)cyclopenten-1-yl]-5-propionamido-benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO4/c1-2-27(30)29-22-16-20(15-21(17-22)28(31)32)23-12-8-13-24(23)25-11-6-7-14-26(25)33-18-19-9-4-3-5-10-19/h3-7,9-11,14-17H,2,8,12-13,18H2,1H3,(H,29,30)(H,31,32)