3-(4-azanylbutyl)-7-methyl-2-(5-methylpyridin-2-yl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-(5-methylpyridin-2-yl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-pyridyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-pyridinyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-(5-methylpyridin-2-yl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-(5-methyl-2-pyridyl)-1H-indole-4-carboxylic acid Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

Isomeric SMILES

CC1=CN=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN

InChI

InChI=1S/C20H23N3O2/c1-12-6-9-16(22-11-12)19-14(5-3-4-10-21)17-15(20(24)25)8-7-13(2)18(17)23-19/h6-9,11,23H,3-5,10,21H2,1-2H3,(H,24,25)