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

Systemtic Name: 3-(4-azanylbutyl)-2-(3-chloranylpyridin-4-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(3-chloro-4-pyridyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(3-chloro-4-pyridinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(3-chloropyridin-4-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(3-chloro-4-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=NC=C3)Cl)CCCCN

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O2/c1-11-5-6-14(19(24)25)16-13(4-2-3-8-21)18(23-17(11)16)12-7-9-22-10-15(12)20/h5-7,9-10,23H,2-4,8,21H2,1H3,(H,24,25)