2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-butyl-2-(3,4-dimethoxyphenyl)-1H-indol-3-yl]acetic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-4-5-6-14-7-9-18-16(11-14)17(13-21(24)25)22(23-18)15-8-10-19(26-2)20(12-15)27-3/h7-12,23H,4-6,13H2,1-3H3,(H,24,25)