3-[1-(4-ethoxycarbonyl-3-oxidanyl-phenyl)-5-phenyl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-(4-ethoxycarbonyl-3-oxidanyl-phenyl)-5-phenyl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-(4-ethoxycarbonyl-3-hydroxy-phenyl)-5-phenyl-pyrrol-2-yl]propanoic acid CAS Name: 3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-phenyl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-(4-ethoxycarbonyl-3-hydroxyphenyl)-5-phenylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-(4-carbethoxy-3-hydroxy-phenyl)-5-phenyl-pyrrol-2-yl]propionic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O)O

InChI

InChI=1S/C22H21NO5/c1-2-28-22(27)18-11-8-17(14-20(18)24)23-16(10-13-21(25)26)9-12-19(23)15-6-4-3-5-7-15/h3-9,11-12,14,24H,2,10,13H2,1H3,(H,25,26)