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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3,5-dimethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3,5-dimethoxyphenyl)-1H-indol-5-yl]acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)OC

InChI

InChI=1S/C22H26N2O4/c1-27-16-11-15(12-17(13-16)28-2)22-18(5-3-4-8-23)19-9-14(10-21(25)26)6-7-20(19)24-22/h6-7,9,11-13,24H,3-5,8,10,23H2,1-2H3,(H,25,26)