(2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic acid CAS Name: (2S)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]propionic acid Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](C)C(=O)O

InChI

InChI=1S/C18H21NO6/c1-3-4-5-12-8-17(21)25-15-9-13(6-7-14(12)15)24-10-16(20)19-11(2)18(22)23/h6-9,11H,3-5,10H2,1-2H3,(H,19,20)(H,22,23)/t11-/m0/s1