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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-2-oxidanylidene-pyridin-1-yl)hexanoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-2-oxo-1-pyridyl)hexanoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-(3-ethyl-2-oxo-1-pyridinyl)-1-oxohexyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-2-oxopyridin-1-yl)hexanoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[2-(3-ethyl-2-keto-1-pyridyl)hexanoylamino]propionic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O6/c1-3-5-8-18(25-11-6-7-15(4-2)23(25)29)22(28)24-17(13-21(26)27)16-9-10-19-20(12-16)31-14-30-19/h6-7,9-12,17-18H,3-5,8,13-14H2,1-2H3,(H,24,28)(H,26,27)