3-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoate

Systemtic Name: 3-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoate Openeye Name: 3-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]propanoate CAS Name: 3-[[2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoate IUPAC Name: 3-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]propanoate Traditional Name: 3-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]propionate Formula: C24H22NO8- MolecularWeight: 452.43338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCC(=O)[O-])C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCC(=O)[O-])C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H23NO8/c1-14-23(15-3-6-18-20(11-15)31-10-2-9-30-18)24(29)17-5-4-16(12-19(17)33-14)32-13-21(26)25-8-7-22(27)28/h3-6,11-12H,2,7-10,13H2,1H3,(H,25,26)(H,27,28)/p-1