4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxy-benzoic acid CAS Name: 4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]-1-pyrrolyl]-2-hydroxybenzoic acid IUPAC Name: 4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxybenzoic acid Traditional Name: 4-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxy-benzoic acid Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC=C1C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

COCCOC1=CC=CC=C1C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H18N2O5/c1-27-8-9-28-20-5-3-2-4-16(20)18-13-23(12-14(18)11-22)15-6-7-17(21(25)26)19(24)10-15/h2-7,10,12-13,24H,8-9H2,1H3,(H,25,26)