(2S)-2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoate

Systemtic Name: (2S)-2-[2-(3-hexyl-4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C22H28NO6- MolecularWeight: 402.46082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)NC(C)C(=O)[O-])C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)N[C@@H](C)C(=O)[O-])C)OC1=O)C

InChI

InChI=1S/C22H29NO6/c1-5-6-7-8-9-17-13(2)16-10-11-18(14(3)20(16)29-22(17)27)28-12-19(24)23-15(4)21(25)26/h10-11,15H,5-9,12H2,1-4H3,(H,23,24)(H,25,26)/p-1/t15-/m0/s1