2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]ethanoic acid Openeye Name: 2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]acetic acid CAS Name: 2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]acetic acid IUPAC Name: 2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]acetic acid Traditional Name: 2-[4-(4-hexoxyphenyl)-1H-pyrrol-3-yl]acetic acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CNC=C2CC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CNC=C2CC(=O)O

InChI

InChI=1S/C18H23NO3/c1-2-3-4-5-10-22-16-8-6-14(7-9-16)17-13-19-12-15(17)11-18(20)21/h6-9,12-13,19H,2-5,10-11H2,1H3,(H,20,21)