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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(isopropyl)amino]methyl]oxazole-4-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(propan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[isopropyl(piperonyl)amino]methyl]oxazole-4-carboxylic acid Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC2=C(C=C1)OCO2)CC3=NC(=CO3)C(=O)O

Isomeric SMILES

CC(C)N(CC1=CC2=C(C=C1)OCO2)CC3=NC(=CO3)C(=O)O

InChI

InChI=1S/C16H18N2O5/c1-10(2)18(7-15-17-12(8-21-15)16(19)20)6-11-3-4-13-14(5-11)23-9-22-13/h3-5,8,10H,6-7,9H2,1-2H3,(H,19,20)