2-[[3-(cyanomethyl)-1H-indol-5-yl]carbonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(cyanomethyl)-1H-indol-5-yl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(cyanomethyl)-1H-indole-5-carbonyl]-methyl-amino]acetic acid CAS Name: 2-[[[3-(cyanomethyl)-1H-indol-5-yl]-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(cyanomethyl)-1H-indole-5-carbonyl]-methylamino]acetic acid Traditional Name: 2-[[3-(cyanomethyl)-1H-indole-5-carbonyl]-methyl-amino]acetic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC2=C(C=C1)NC=C2CC#N

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC2=C(C=C1)NC=C2CC#N

InChI

InChI=1S/C14H13N3O3/c1-17(8-13(18)19)14(20)9-2-3-12-11(6-9)10(4-5-15)7-16-12/h2-3,6-7,16H,4,8H2,1H3,(H,18,19)