3-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 3-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(2-benzyloxy-5-bromo-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclopentenyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-[2-(5-bromo-2-phenylmethoxyphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(2-benzoxy-5-bromo-phenyl)cyclopenten-1-yl]-5-propionamido-benzoic acid Formula: C28H26BrNO4 MolecularWeight: 520.41434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC(=CC(=C1)C(=O)O)C2=C(CCC2)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C28H26BrNO4/c1-2-27(31)30-22-14-19(13-20(15-22)28(32)33)23-9-6-10-24(23)25-16-21(29)11-12-26(25)34-17-18-7-4-3-5-8-18/h3-5,7-8,11-16H,2,6,9-10,17H2,1H3,(H,30,31)(H,32,33)