2-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid Openeye Name: 2-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid CAS Name: 2-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid IUPAC Name: 2-[4-butoxy-3-(1H-indol-5-yl)phenyl]propanoic acid Traditional Name: 2-[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)C(C)C(=O)O)C2=CC3=C(C=C2)NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3/c1-3-4-11-25-20-8-6-15(14(2)21(23)24)13-18(20)16-5-7-19-17(12-16)9-10-22-19/h5-10,12-14,22H,3-4,11H2,1-2H3,(H,23,24)