2-[3-(cyanomethyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(cyanomethyl)indol-1-yl]ethanoic acid Openeye Name: 2-[3-(cyanomethyl)indol-1-yl]acetic acid CAS Name: 2-[3-(cyanomethyl)-1-indolyl]acetic acid IUPAC Name: 2-[3-(cyanomethyl)indol-1-yl]acetic acid Traditional Name: 2-[3-(cyanomethyl)indol-1-yl]acetic acid Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2/c13-6-5-9-7-14(8-12(15)16)11-4-2-1-3-10(9)11/h1-4,7H,5,8H2,(H,15,16)