3-(4-chlorophenyl)-2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]propanoic acid

Systemtic Name: 3-(4-chlorophenyl)-2-[2-(4-ethyl-7-methyl-2-oxidanylidene-chromen-5-yl)oxyethanoylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-[[2-(4-ethyl-7-methyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[2-[(4-ethyl-7-methyl-2-oxo-1-benzopyran-5-yl)oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-[[2-(4-ethyl-2-keto-7-methyl-chromen-5-yl)oxyacetyl]amino]propionic acid Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C(=CC(=C2)C)OCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H22ClNO6/c1-3-15-11-21(27)31-19-9-13(2)8-18(22(15)19)30-12-20(26)25-17(23(28)29)10-14-4-6-16(24)7-5-14/h4-9,11,17H,3,10,12H2,1-2H3,(H,25,26)(H,28,29)