2-azanyl-2-[(2,5-dimethoxyphenyl)methyl]but-3-ynoic acid

Systemtic Name: 2-azanyl-2-[(2,5-dimethoxyphenyl)methyl]but-3-ynoic acid Openeye Name: 2-amino-2-[(2,5-dimethoxyphenyl)methyl]but-3-ynoic acid CAS Name: 2-amino-2-[(2,5-dimethoxyphenyl)methyl]-3-butynoic acid IUPAC Name: 2-amino-2-[(2,5-dimethoxyphenyl)methyl]but-3-ynoic acid Traditional Name: 2-amino-2-(2,5-dimethoxybenzyl)but-3-ynoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC(C#C)(C(=O)O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC(C#C)(C(=O)O)N

InChI

InChI=1S/C13H15NO4/c1-4-13(14,12(15)16)8-9-7-10(17-2)5-6-11(9)18-3/h1,5-7H,8,14H2,2-3H3,(H,15,16)