2-acetamido-5-[2-(5-methyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid

Systemtic Name: 2-acetamido-5-[2-(5-methyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]benzoic acid Openeye Name: 2-acetamido-5-[2-(2-benzyloxy-5-methyl-phenyl)cyclopenten-1-yl]benzoic acid CAS Name: 2-acetamido-5-[2-(5-methyl-2-phenylmethoxyphenyl)-1-cyclopentenyl]benzoic acid IUPAC Name: 2-acetamido-5-[2-(5-methyl-2-phenylmethoxyphenyl)cyclopenten-1-yl]benzoic acid Traditional Name: 2-acetamido-5-[2-(2-benzoxy-5-methyl-phenyl)cyclopenten-1-yl]benzoic acid Formula: C28H27NO4 MolecularWeight: 441.51828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(CCC3)C4=CC(=C(C=C4)NC(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(CCC3)C4=CC(=C(C=C4)NC(=O)C)C(=O)O

InChI

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