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

Systemtic Name: 2-[2-[3-(4-bromanylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[3-(4-bromophenoxy)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[3-(4-bromophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[3-(4-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[3-(4-bromophenoxy)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]-3-phenyl-propionic acid Formula: C27H22BrNO7 MolecularWeight: 552.37008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(CC3=CC=CC=C3)C(=O)O)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H22BrNO7/c1-16-26(36-19-9-7-18(28)8-10-19)25(31)21-12-11-20(14-23(21)35-16)34-15-24(30)29-22(27(32)33)13-17-5-3-2-4-6-17/h2-12,14,22H,13,15H2,1H3,(H,29,30)(H,32,33)