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

Systemtic Name: 3-[2-[3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]propanoic acid Openeye Name: 3-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]propanoic acid CAS Name: 3-[[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propanoic acid IUPAC Name: 3-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]propanoic acid Traditional Name: 3-[[2-[3-(4-chlorophenyl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]propionic acid Formula: C21H18ClNO6 MolecularWeight: 415.82372

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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=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NCCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO6/c1-12-20(13-2-4-14(22)5-3-13)21(27)16-7-6-15(10-17(16)29-12)28-11-18(24)23-9-8-19(25)26/h2-7,10H,8-9,11H2,1H3,(H,23,24)(H,25,26)