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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3,4-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=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN)OC

Isomeric SMILES

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

InChI

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