3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-5-methyl-2-oxidanylidene-pyridin-1-yl)hexanoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-5-methyl-2-oxidanylidene-pyridin-1-yl)hexanoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-5-methyl-2-oxo-1-pyridyl)hexanoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(3-ethyl-5-methyl-2-oxo-1-pyridinyl)-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-5-methyl-2-oxopyridin-1-yl)hexanoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-2-keto-5-methyl-1-pyridyl)hexanoylamino]propionic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2)N3C=C(C=C(C3=O)CC)C

Isomeric SMILES

CCCCC(C(=O)NC(CC(=O)O)C1=CC2=C(C=C1)OCO2)N3C=C(C=C(C3=O)CC)C

InChI

InChI=1S/C24H30N2O6/c1-4-6-7-19(26-13-15(3)10-16(5-2)24(26)30)23(29)25-18(12-22(27)28)17-8-9-20-21(11-17)32-14-31-20/h8-11,13,18-19H,4-7,12,14H2,1-3H3,(H,25,29)(H,27,28)