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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-chloranylpyridin-2-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-chloro-2-pyridyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-chloro-2-pyridinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-chloropyridin-2-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-chloro-2-pyridyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=N3)Cl)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC=N3)Cl)CCCCN

InChI

InChI=1S/C19H20ClN3O2/c1-11-7-8-13(19(24)25)15-12(5-2-3-9-21)17(23-16(11)15)18-14(20)6-4-10-22-18/h4,6-8,10,23H,2-3,5,9,21H2,1H3,(H,24,25)