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

Systemtic Name: 4-[2-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-oxidanyl-ethyl]benzoic acid Openeye Name: 4-[2-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxy-ethyl]benzoic acid CAS Name: 4-[2-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]-1-pyrrolyl]-2-hydroxyethyl]benzoic acid IUPAC Name: 4-[2-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxyethyl]benzoic acid Traditional Name: 4-[2-[3-cyano-4-[2-(2-methoxyethoxy)phenyl]pyrrol-1-yl]-2-hydroxy-ethyl]benzoic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=CC=C1C2=CN(C=C2C#N)C(CC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

COCCOC1=CC=CC=C1C2=CN(C=C2C#N)C(CC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H22N2O5/c1-29-10-11-30-21-5-3-2-4-19(21)20-15-25(14-18(20)13-24)22(26)12-16-6-8-17(9-7-16)23(27)28/h2-9,14-15,22,26H,10-12H2,1H3,(H,27,28)