4-[1-(cyanomethyl)indol-3-yl]butanoic acid

Systemtic Name: 4-[1-(cyanomethyl)indol-3-yl]butanoic acid Openeye Name: 4-[1-(cyanomethyl)indol-3-yl]butanoic acid CAS Name: 4-[1-(cyanomethyl)-3-indolyl]butanoic acid IUPAC Name: 4-[1-(cyanomethyl)indol-3-yl]butanoic acid Traditional Name: 4-[1-(cyanomethyl)indol-3-yl]butyric acid Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC#N)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC#N)CCCC(=O)O

InChI

InChI=1S/C14H14N2O2/c15-8-9-16-10-11(4-3-7-14(17)18)12-5-1-2-6-13(12)16/h1-2,5-6,10H,3-4,7,9H2,(H,17,18)