6-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]hexanoic acid Openeye Name: 6-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]hexanoic acid CAS Name: 6-[[2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]hexanoic acid Formula: C27H29NO8 MolecularWeight: 495.52106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCCCC(=O)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCCCC(=O)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C27H29NO8/c1-17-26(18-7-10-21-23(14-18)34-13-5-12-33-21)27(32)20-9-8-19(15-22(20)36-17)35-16-24(29)28-11-4-2-3-6-25(30)31/h7-10,14-15H,2-6,11-13,16H2,1H3,(H,28,29)(H,30,31)