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

Systemtic Name: 4-[2-[3-(4-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]butanoic acid Openeye Name: 4-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]butanoic acid CAS Name: 4-[[2-[[3-(4-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[3-(4-chlorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]butanoic acid Traditional Name: 4-[[2-[3-(4-chlorophenyl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]butyric acid Formula: C22H20ClNO6 MolecularWeight: 429.8503

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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)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO6/c1-13-21(14-4-6-15(23)7-5-14)22(28)17-9-8-16(11-18(17)30-13)29-12-19(25)24-10-2-3-20(26)27/h4-9,11H,2-3,10,12H2,1H3,(H,24,25)(H,26,27)