2-[5-butyl-2-(3-ethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(3-ethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butyl-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(3-ethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-(5-butyl-2-m-phenetyl-1H-indol-3-yl)acetic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C22H25NO3/c1-3-5-7-15-10-11-20-18(12-15)19(14-21(24)25)22(23-20)16-8-6-9-17(13-16)26-4-2/h6,8-13,23H,3-5,7,14H2,1-2H3,(H,24,25)