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

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl(butan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl(sec-butyl)amino]methyl]oxazole-4-carboxylic acid CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl(butan-2-yl)amino]methyl]-4-oxazolecarboxylic acid IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl(butan-2-yl)amino]methyl]-1,3-oxazole-4-carboxylic acid Traditional Name: 2-[[piperonyl(sec-butyl)amino]methyl]oxazole-4-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-3-11(2)19(8-16-18-13(9-22-16)17(20)21)7-12-4-5-14-15(6-12)24-10-23-14/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,20,21)