2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-oxidanyl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-oxidanyl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-hydroxy-propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-hydroxypropanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-hydroxypropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(2-butyl-1H-imidazol-5-yl)-3-hydroxy-propionic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)O)O

Isomeric SMILES

CCCCC1=NC=C(N1)C(C(C2=CC3=C(C=C2)OCO3)C(=O)O)O

InChI

InChI=1S/C17H20N2O5/c1-2-3-4-14-18-8-11(19-14)16(20)15(17(21)22)10-5-6-12-13(7-10)24-9-23-12/h5-8,15-16,20H,2-4,9H2,1H3,(H,18,19)(H,21,22)