2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-ethylphenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butan-2-yl-2-(4-ethylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-ethylphenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)CC)CC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(C)CC)CC(=O)O

InChI

InChI=1S/C22H25NO2/c1-4-14(3)17-10-11-20-18(12-17)19(13-21(24)25)22(23-20)16-8-6-15(5-2)7-9-16/h6-12,14,23H,4-5,13H2,1-3H3,(H,24,25)