4-[2-[3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]butanoic acid

Systemtic Name: 4-[2-[3-(2-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-[3-(2-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[[3-(2-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-[3-(2-bromophenoxy)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]butyric acid Formula: C22H20BrNO7 MolecularWeight: 490.3007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)OC3=CC=CC=C3Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCCC(=O)O)OC3=CC=CC=C3Br

InChI

InChI=1S/C22H20BrNO7/c1-13-22(31-17-6-3-2-5-16(17)23)21(28)15-9-8-14(11-18(15)30-13)29-12-19(25)24-10-4-7-20(26)27/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,24,25)(H,26,27)