2-azanyl-2-(1H-indol-3-ylmethyl)but-3-ynoic acid

Systemtic Name: 2-azanyl-2-(1H-indol-3-ylmethyl)but-3-ynoic acid Openeye Name: 2-amino-2-(1H-indol-3-ylmethyl)but-3-ynoic acid CAS Name: 2-amino-2-(1H-indol-3-ylmethyl)-3-butynoic acid IUPAC Name: 2-amino-2-(1H-indol-3-ylmethyl)but-3-ynoic acid Traditional Name: 2-amino-2-(1H-indol-3-ylmethyl)but-3-ynoic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N

Isomeric SMILES

C#CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N

InChI

InChI=1S/C13H12N2O2/c1-2-13(14,12(16)17)7-9-8-15-11-6-4-3-5-10(9)11/h1,3-6,8,15H,7,14H2,(H,16,17)