(2S)-2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propionate Formula: C28H22NO8- MolecularWeight: 500.47618

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)OCC(=O)NC(CC5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)OCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H23NO8/c30-26(29-22(28(32)33)12-17-4-2-1-3-5-17)16-36-19-7-8-20-24(14-19)37-15-21(27(20)31)18-6-9-23-25(13-18)35-11-10-34-23/h1-9,13-15,22H,10-12,16H2,(H,29,30)(H,32,33)/p-1/t22-/m0/s1