3-(4-chloranylbutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide

Systemtic Name: 3-(4-chloranylbutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide Openeye Name: 3-(4-chlorobutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide CAS Name: 3-(4-chlorobutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide IUPAC Name: 3-(4-chlorobutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide Traditional Name: 3-(4-chlorobutyl)-1H-indole-5-carboxylic acid; 1-methyl-2H-pyridine-4-carboxamide Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=C(C=C1)C(=O)N.C1=CC2=C(C=C1C(=O)O)C(=CN2)CCCCCl

Isomeric SMILES

CN1CC=C(C=C1)C(=O)N.C1=CC2=C(C=C1C(=O)O)C(=CN2)CCCCCl

InChI

InChI=1S/C13H14ClNO2.C7H10N2O/c14-6-2-1-3-10-8-15-12-5-4-9(13(16)17)7-11(10)12;1-9-4-2-6(3-5-9)7(8)10/h4-5,7-8,15H,1-3,6H2,(H,16,17);2-4H,5H2,1H3,(H2,8,10)