2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]-1,3-oxazole-4-carboxylic acid

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]oxazole-4-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(cyclopropyl)amino]methyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[cyclopropyl(piperonyl)amino]methyl]oxazole-4-carboxylic acid Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CO4)C(=O)O

Isomeric SMILES

C1CC1N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CO4)C(=O)O

InChI

InChI=1S/C16H16N2O5/c19-16(20)12-8-21-15(17-12)7-18(11-2-3-11)6-10-1-4-13-14(5-10)23-9-22-13/h1,4-5,8,11H,2-3,6-7,9H2,(H,19,20)