3-[1-(cyanomethyl)indol-3-yl]propanoate

Systemtic Name: 3-[1-(cyanomethyl)indol-3-yl]propanoate Openeye Name: 3-[1-(cyanomethyl)indol-3-yl]propanoate CAS Name: 3-[1-(cyanomethyl)-3-indolyl]propanoate IUPAC Name: 3-[1-(cyanomethyl)indol-3-yl]propanoate Traditional Name: 3-[1-(cyanomethyl)indol-3-yl]propionate Formula: C13H11N2O2- MolecularWeight: 227.23864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)CCC(=O)[O-]

InChI

InChI=1S/C13H12N2O2/c14-7-8-15-9-10(5-6-13(16)17)11-3-1-2-4-12(11)15/h1-4,9H,5-6,8H2,(H,16,17)/p-1