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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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