methyl 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylate

Systemtic Name: methyl 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylate Openeye Name: methyl 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylate CAS Name: 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylate Traditional Name: 3-[[butyl(cyanomethyl)amino]methyl]-1H-indole-6-carboxylic acid methyl ester Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)CC1=CNC2=C1C=CC(=C2)C(=O)OC

Isomeric SMILES

CCCCN(CC#N)CC1=CNC2=C1C=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H21N3O2/c1-3-4-8-20(9-7-18)12-14-11-19-16-10-13(17(21)22-2)5-6-15(14)16/h5-6,10-11,19H,3-4,8-9,12H2,1-2H3