2-[3-(4-azanylbutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(2,6-dimethoxyphenyl)-1H-indol-5-yl]acetic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-27-18-7-5-8-19(28-2)21(18)22-15(6-3-4-11-23)16-12-14(13-20(25)26)9-10-17(16)24-22/h5,7-10,12,24H,3-4,6,11,13,23H2,1-2H3,(H,25,26)