2-[5-butoxy-2-(4-ethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butoxy-2-(4-ethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butoxy-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butoxy-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butoxy-2-(4-ethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-(5-butoxy-2-p-phenetyl-1H-indol-3-yl)acetic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-3-5-12-27-17-10-11-20-18(13-17)19(14-21(24)25)22(23-20)15-6-8-16(9-7-15)26-4-2/h6-11,13,23H,3-5,12,14H2,1-2H3,(H,24,25)