2-[(3-cyano-1-methyl-indol-2-yl)methylamino]ethanoic acid

Systemtic Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]ethanoic acid Openeye Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]acetic acid CAS Name: 2-[(3-cyano-1-methyl-2-indolyl)methylamino]acetic acid IUPAC Name: 2-[(3-cyano-1-methylindol-2-yl)methylamino]acetic acid Traditional Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]acetic acid Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CNCC(=O)O)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CNCC(=O)O)C#N

InChI

InChI=1S/C13H13N3O2/c1-16-11-5-3-2-4-9(11)10(6-14)12(16)7-15-8-13(17)18/h2-5,15H,7-8H2,1H3,(H,17,18)