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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-5-yl]acetic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)CC(=O)O)CCCCN

InChI

InChI=1S/C23H28N2O5/c1-28-19-12-15(13-20(29-2)23(19)30-3)22-16(6-4-5-9-24)17-10-14(11-21(26)27)7-8-18(17)25-22/h7-8,10,12-13,25H,4-6,9,11,24H2,1-3H3,(H,26,27)