3-[4-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-(2,5-dimethylpyrrol-1-yl)-2-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-phenyl]propanoic acid CAS Name: 3-[4-(2,5-dimethyl-1-pyrrolyl)-2-hydroxyphenyl]propanoic acid IUPAC Name: 3-[4-(2,5-dimethylpyrrol-1-yl)-2-hydroxyphenyl]propanoic acid Traditional Name: 3-[4-(2,5-dimethylpyrrol-1-yl)-2-hydroxy-phenyl]propionic acid Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)CCC(=O)O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)CCC(=O)O)O)C

InChI

InChI=1S/C15H17NO3/c1-10-3-4-11(2)16(10)13-7-5-12(14(17)9-13)6-8-15(18)19/h3-5,7,9,17H,6,8H2,1-2H3,(H,18,19)