1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylic acid

Systemtic Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylic acid Openeye Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylic acid CAS Name: 1-(cyanomethyl)-2,3-dimethyl-5-indolecarboxylic acid IUPAC Name: 1-(cyanomethyl)-2,3-dimethylindole-5-carboxylic acid Traditional Name: 1-(cyanomethyl)-2,3-dimethyl-indole-5-carboxylic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC#N)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC#N)C

InChI

InChI=1S/C13H12N2O2/c1-8-9(2)15(6-5-14)12-4-3-10(13(16)17)7-11(8)12/h3-4,7H,6H2,1-2H3,(H,16,17)