3-(5-phenylmethoxyindol-1-yl)hexanoic acid

Systemtic Name: 3-(5-phenylmethoxyindol-1-yl)hexanoic acid Openeye Name: 3-(5-benzyloxyindol-1-yl)hexanoic acid CAS Name: 3-(5-phenylmethoxy-1-indolyl)hexanoic acid IUPAC Name: 3-(5-phenylmethoxyindol-1-yl)hexanoic acid Traditional Name: 3-(5-benzoxyindol-1-yl)hexanoic acid Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)N1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(CC(=O)O)N1C=CC2=C1C=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3/c1-2-6-18(14-21(23)24)22-12-11-17-13-19(9-10-20(17)22)25-15-16-7-4-3-5-8-16/h3-5,7-13,18H,2,6,14-15H2,1H3,(H,23,24)