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

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(6-methoxypyridin-3-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-3-pyridyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-3-pyridinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(6-methoxypyridin-3-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(6-methoxy-3-pyridyl)-1H-indol-5-yl]acetic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-26-18-8-6-14(12-22-18)20-15(4-2-3-9-21)16-10-13(11-19(24)25)5-7-17(16)23-20/h5-8,10,12,23H,2-4,9,11,21H2,1H3,(H,24,25)