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

Systemtic Name: 3-(4-chlorophenyl)-2-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoylamino]propanoic acid Openeye Name: 3-(4-chlorophenyl)-2-[3-(7-methoxy-4-methyl-2-oxo-chromen-3-yl)propanoylamino]propanoic acid CAS Name: 3-(4-chlorophenyl)-2-[[3-(7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(4-chlorophenyl)-2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]propanoic acid Traditional Name: 3-(4-chlorophenyl)-2-[3-(2-keto-7-methoxy-4-methyl-chromen-3-yl)propanoylamino]propionic acid Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC)CCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H22ClNO6/c1-13-17-8-7-16(30-2)12-20(17)31-23(29)18(13)9-10-21(26)25-19(22(27)28)11-14-3-5-15(24)6-4-14/h3-8,12,19H,9-11H2,1-2H3,(H,25,26)(H,27,28)