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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC=CC=C3OCC

InChI

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