3-[2-(5-methyl-2-oxidanyl-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 3-[2-(5-methyl-2-oxidanyl-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 3-[2-(2-hydroxy-5-methyl-phenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 3-[2-(2-hydroxy-5-methylphenyl)-1-cyclopentenyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 3-[2-(2-hydroxy-5-methylphenyl)cyclopenten-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 3-[2-(2-hydroxy-5-methyl-phenyl)cyclopenten-1-yl]-5-propionamido-benzoic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-3-21(25)23-16-11-14(10-15(12-16)22(26)27)17-5-4-6-18(17)19-9-13(2)7-8-20(19)24/h7-12,24H,3-6H2,1-2H3,(H,23,25)(H,26,27)