2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butoxy-2-(2,5-dimethylphenyl)-1H-indol-3-yl]acetic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)C)C

InChI

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