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

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoate CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanoate IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propionate Formula: C21H26NO6- MolecularWeight: 388.43424

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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-])OC1=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6/c1-4-5-6-7-8-17-13(2)16-10-9-15(11-18(16)28-21(17)26)27-12-19(23)22-14(3)20(24)25/h9-11,14H,4-8,12H2,1-3H3,(H,22,23)(H,24,25)/p-1/t14-/m0/s1