3-[1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]pyrrol-2-yl]propionic acid Formula: C18H19NO3 MolecularWeight: 297.34836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)N2C=CC=C2CCC(=O)O)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)N2C=CC=C2CCC(=O)O)O

InChI

InChI=1S/C18H19NO3/c1-18(2,22)12-11-14-5-7-16(8-6-14)19-13-3-4-15(19)9-10-17(20)21/h3-8,13,22H,9-10H2,1-2H3,(H,20,21)