3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid

Systemtic Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid CAS Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid IUPAC Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-butoxy-3-(1H-indol-5-yl)phenyl]propionic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)O)C2=CC3=C(C=C2)NC=C3

InChI

InChI=1S/C21H23NO3/c1-2-3-12-25-20-8-4-15(5-9-21(23)24)13-18(20)16-6-7-19-17(14-16)10-11-22-19/h4,6-8,10-11,13-14,22H,2-3,5,9,12H2,1H3,(H,23,24)