methyl 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-keto-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C29H25NO9 MolecularWeight: 531.5101

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C29H25NO9/c1-35-29(34)21(11-17-5-3-2-4-6-17)30-26(32)16-38-19-13-22(31)27-25(14-19)39-15-20(28(27)33)18-7-8-23-24(12-18)37-10-9-36-23/h2-8,12-15,21,31H,9-11,16H2,1H3,(H,30,32)