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

Systemtic Name: (2S)-2-[2-(3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[2-[(3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[2-(3-hexyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-2-phenyl-acetate Formula: C26H28NO6- MolecularWeight: 450.50362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(C3=CC=CC=C3)C(=O)[O-])OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@@H](C3=CC=CC=C3)C(=O)[O-])OC1=O)C

InChI

InChI=1S/C26H29NO6/c1-3-4-5-9-12-21-17(2)20-14-13-19(15-22(20)33-26(21)31)32-16-23(28)27-24(25(29)30)18-10-7-6-8-11-18/h6-8,10-11,13-15,24H,3-5,9,12,16H2,1-2H3,(H,27,28)(H,29,30)/p-1/t24-/m0/s1